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Title Sort descending	Pub Year	Author	SearchLink
Crystal structure of (E)-4-hy-droxy-N'-(3-hy-droxy-benzyl-idene)benzohydrazide monohydrate	2014	Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, Scotland.; Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, Scotland.; Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full Acta crystallographica.Section E, Structure reports online Periodical, Abbrev. Acta Crystallogr.Sect.E.Struct.Rep.Online Pub Date Free Form 1-Aug Volume 70 Issue Pt 9 Start Page o891 Other Pages 2 Notes LR: 20141015; JID: 101089178; OID: NLM: PMC4186143; OTO: NOTNLM; 2014/09/01 [ecollection]; 2014/05/21 [received]; 2014/05/22 [accepted]; 2014/08/01 [epublish]; epublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 25309238 Language eng SubFile Journal Article DOI 10.1107/S1600536814011908 [doi] Output Language Unknown(0) PMID 25309238 Abstract In the title benzohydrazide hydrate, C14H12N2O3.H2O, the dihedral angle between the aromatic rings is 58.11 (6) degrees and the C=O and N-H groups adopt an anti orientation. The main twist in the mol-ecule occurs about the C(=O)-Car (ar = aromatic) bond, with an N-C(=O)-Car-Car torsion angle of -43.5 (2) degrees . In the crystal, the components are linked by N-Hcdots, three dots, centeredO, O-Hcdots, three dots, centeredN and O-Hcdots, three dots, centeredO hydrogen bonds. These inter-actions generate [10-1] chains, with adjacent organic mol-ecules linked by inversion symmetry generating either pairs of N-Hcdots, three dots, centeredO links [R 2 (2)(16) loops] or pairs of O-Hcdots, three dots, centeredO links [R 2 (2)(20) loops]. Pairs of water mol-ecules are located in the R 2 (2)(20) loops and form their own O-Hcdots, three dots, centeredO and O-Hcdots, three dots, centeredN hydrogen bonds to adjacent organic mol-ecules in the chain. Finally, an inter-chain O-Hcdots, three dots, centeredO hydrogen-bond link from the 4-hy-droxy group generates (010) sheets. Descriptors Links Book Title Database Publisher Data Source Authors Harrison,W.T., Low,J.N., Wardell,J.L. Original/Translated Title URL Date of Electronic 20140801 PMCID PMC4186143 Editors
Crystal structure of 1-(1-methyl-1H-imidazol-2-yl)-4-phenyl-1H-1,2,3-triazole dihydrate	2015	University of Innsbruck, Faculty of Chemistry and Pharmacy, Innrain 80, 6020 Innsbruck, Austria.; University of Innsbruck, Faculty of Chemistry and Pharmacy, Innrain 80, 6020 Innsbruck, Austria.; University of Innsbruck, Faculty of Chemistry and Pharmacy,	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full Acta crystallographica.Section E, Crystallographic communications Periodical, Abbrev. Acta Crystallogr.E.Crystallogr.Commun. Pub Date Free Form 14-Nov Volume 71 Issue Pt 12 Start Page o945 Other Pages 6 Notes LR: 20160214; JID: 101648987; OID: NLM: PMC4719915; OTO: NOTNLM; 2015/12/01 [ecollection]; 2015/10/30 [received]; 2015/11/01 [accepted]; 2015/11/14 [epublish]; epublish Place of Publication England ISSN/ISBN 2056-9890 Accession Number PMID: 26870543 Language eng SubFile Journal Article DOI 10.1107/S2056989015020721 [doi] Output Language Unknown(0) PMID 26870543 Abstract The title compound, C12H11N5.2H2O, which crystallizes as a dihydrate, was obtained by Cu(I)-catalysed azide-alkyne cyclo-addition from 2-azido-1-methyl-imidazole and phenyl-ethyne. The dihedral angles between the central triazole ring (r.m.s. deviation = 0.004 A) and the pendant imidazole (r.m.s. deviation = 0.006 A) and phenyl rings are 12.3 (2) and 2.54 (19) degrees , respectively. In the crystal, the water mol-ecules are connected into [010] chains by O-Hcdots, three dots, centeredO hydrogen bonds, while O-Hcdots, three dots, centeredN hydrogen bonds connect the water mol-ecules to the organic mol-ecules, generating corrugated (100) sheets. Descriptors Links Book Title Database Publisher Data Source Authors Haslinger,S., Laus,G., Wurst,K., Schottenberger,H. Original/Translated Title URL Date of Electronic 20151114 PMCID PMC4719915 Editors
Crystal structure of 3-({[(thio-phen-2-yl)methyl-idene]hydrazin-yl}carbon-yl)pyridinium chloride dihydrate	2014	PG & Research Department of Chemistry, Jamal Mohamed College (Autonomous), Tiruchirappalli-20, India.; PG & Research Department of Chemistry, Jamal Mohamed College (Autonomous), Tiruchirappalli-20, India.; Department of Physics, Idhaya College for Women,	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full Acta crystallographica.Section E, Structure reports online Periodical, Abbrev. Acta Crystallogr.Sect.E.Struct.Rep.Online Pub Date Free Form 6-Aug Volume 70 Issue Pt 9 Start Page o976 Other Pages 7 Notes LR: 20141015; JID: 101089178; OID: NLM: PMC4186149; OTO: NOTNLM; 2014/09/01 [ecollection]; 2014/07/24 [received]; 2014/07/30 [accepted]; 2014/08/06 [epublish]; epublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 25309289 Language eng SubFile Journal Article DOI 10.1107/S1600536814017565 [doi] Output Language Unknown(0) PMID 25309289 Abstract In the title compound, C11H10N3OS(+).Cl(-).2H2O, the organic cation exhibits a dihedral angle of 21.26 (8) degrees between the mean planes of the pyridine and thio-phene rings, and dihedral angles of 15.11 (9) and 6.49 (9) degrees between the mean planes of the hydrazide moiety and the pyridine and thio-phene rings, respectively. In the crystal, the organic cation, the chloride counter-anion and the two water mol-ecules of crystallization are linked through an intricate hydrogen-bonding network consisting of O-Hcdots, three dots, centeredO, O-Hcdots, three dots, centeredN, N-Hcdots, three dots, centeredCl, C-Hcdots, three dots, centeredCl, C-Hcdots, three dots, centeredO, N-Hcdots, three dots, centeredO, O-Hcdots, three dots, centeredCl and C-Hcdots, three dots, centeredS inter-actions that consolidate a three-dimensional network. Descriptors Links Book Title Database Publisher Data Source Authors Chandrasekaran,T., Suresh,M., Josephine Novina,J., Syed Ali Padusha,M.K., Vasuki,G., Kasthuri,B. Original/Translated Title URL Date of Electronic 20140806 PMCID PMC4186149 Editors
Crystal structure of 3-[({2-[bis-(2-hy-droxy-benz-yl)amino]-eth-yl}(2-hy-droxy-benz-yl)amino)-meth-yl] -2-hydroxy-5-methyl-benzaldehyde	2014	Depto. de Quimica - Universidade Federal de Santa Catarina, 88040-900 Florianopolis, Santa Catarina, Brazil.; Depto. de Quimica - Universidade Federal de Santa Catarina, 88040-900 Florianopolis, Santa Catarina, Brazil.	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full Acta crystallographica.Section E, Structure reports online Periodical, Abbrev. Acta Crystallogr.Sect.E.Struct.Rep.Online Pub Date Free Form 21-Nov Volume 70 Issue Pt 12 Start Page 562 Other Pages 565 Notes LR: 20150113; JID: 101089178; OID: NLM: PMC4257411; OTO: NOTNLM; 2014/12/01 [ecollection]; 2014/10/29 [received]; 2014/11/06 [accepted]; 2014/11/21 [epublish]; epublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 25552993 Language eng SubFile Journal Article DOI 10.1107/S1600536814024465 [doi] Output Language Unknown(0) PMID 25552993 Abstract The non-symmetric title mol-ecule, C32H34N2O5, is based on a tetra-substituted ethyl-enedi-amine backbone. The mol-ecular structure consists of three hy-droxy-benzyl groups and one 2-hy-droxy-5-methyl-benzaldehyde group bonded to the N atoms of the di-amine unit. The ethyl-enedi-amine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hy-droxy-5-methyl-benzaldehyde group, an intra-molecular S(6) O-Hcdots, three dots, centeredO hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intra-molecular S(6) O-Hcdots, three dots, centeredN hydrogen bond. The third phenol group is involved in a bifurcated intra-molecular hydrogen bond with graph-set notation S(6) for O-Hcdots, three dots, centeredN and O-Hcdots, three dots, centeredO intra-molecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intra-molecular hydrogen bond and also acts as donor in an inter-molecular hydrogen bond, which connects inversion-related mol-ecules into dimers with R 4 (4)(8) ring motifs. Descriptors Links Book Title Database Publisher Data Source Authors Fonseca,A.S., Bortoluzzi,A.J. Original/Translated Title URL Date of Electronic 20141121 PMCID PMC4257411 Editors
Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-meth-oxy-benzyl-idene)amino]-4,5,6,7-tetra-hydr o-benzo[b]thio-phene	2015	Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.; Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.; Department of Studies in Chemistry, University of Mysore, Manasaga	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full Acta crystallographica.Section E, Crystallographic communications Periodical, Abbrev. Acta Crystallogr.E.Crystallogr.Commun. Pub Date Free Form 17-Jan Volume 71 Issue Pt 2 Start Page 176 Other Pages 179 Notes LR: 20150418; JID: 101648987; OID: NLM: PMC4384575; OTO: NOTNLM; 2015/02/01 [ecollection]; 2014/12/31 [received]; 2015/01/06 [accepted]; 2015/01/17 [epublish]; epublish Place of Publication England ISSN/ISBN 2056-9890 Accession Number PMID: 25878812 Language eng SubFile Journal Article DOI 10.1107/S2056989015000195 [doi] Output Language Unknown(0) PMID 25878812 Abstract In the cyclo-hexene ring of the title compound, C23H20BrNO3S, the -(CH2)4- atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thio-phene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3) degrees , respectively. The planes of the two aryl rings are twisted with respect to each other by 86.4 (6) degrees . In the mol-ecule, there is an O-Hcdots, three dots, centeredN hydrogen bond forming an S(6) ring motif. In the crystal, mol-ecules are linked via C-Hcdots, three dots, centeredO hydrogen bonds, forming chains parallel to [100]. Descriptors Links Book Title Database Publisher Data Source Authors Kaur,M., Jasinski,J.P., Yathirajan,H.S., Glidewell,C., Byrappa,K. Original/Translated Title URL Date of Electronic 20150117 PMCID PMC4384575 Editors
Crystal structure of 4-(prop-2-yn-yloxy)-2,2,6,6-tetra-methyl-piperidin-1-ox-yl	2014	Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand.; Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand.; Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand.; Department of C	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full Acta crystallographica.Section E, Structure reports online Periodical, Abbrev. Acta Crystallogr.Sect.E.Struct.Rep.Online Pub Date Free Form 9-Aug Volume 70 Issue Pt 9 Start Page 130 Other Pages 133 Notes LR: 20141015; JID: 101089178; OID: NLM: PMC4186184; OTO: NOTNLM; 2014/09/01 [ecollection]; 2014/08/04 [received]; 2014/08/05 [accepted]; 2014/08/09 [epublish]; epublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 25309160 Language eng SubFile Journal Article DOI 10.1107/S1600536814017991 [doi] Output Language Unknown(0) PMID 25309160 Abstract The title compound, C12H20NO2, was synthesized from 4-hy-droxy-2,2,6,6-tetra-methyl-piperidin-1-oxyl (hy-droxy-TEMPO) and propargyl bromide. The six-membered ring adopts a flattened chair conformation and carries a propyn-yloxy substituent in an equatorial orientation at the 4-position. The N-O bond length of the piperidin-1-oxyl unit is 1.289 (3) A. In the crystal, C-Hcdots, three dots, centeredO hydrogen bonds combine with unusual C-Hcdots, three dots, centeredpi inter-actions involving the alkyne unit as acceptor to generate a three-dimensional network. Descriptors Links Book Title Database Publisher Data Source Authors Goswami,S.K., Hanton,L.R., McAdam,C.J., Moratti,S.C., Simpson,J. Original/Translated Title URL Date of Electronic 20140809 PMCID PMC4186184 Editors
Crystal structure of 4-{(E)-[2-(pyridin-4-ylcarbon-yl)hydrazin-1-yl-idene]meth-yl}phenyl acetate monohydrate	2015	Department of Chemistry, Christ University, Hosur Road, Bangalore 560 029, India.; Department of Chemistry, Christ University, Hosur Road, Bangalore 560 029, India.; Department of Chemistry, Faculty of Science, Eastern University, Sri Lanka, Chenkalady, S	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full Acta crystallographica.Section E, Crystallographic communications Periodical, Abbrev. Acta Crystallogr.E.Crystallogr.Commun. Pub Date Free Form 3-Jan Volume 71 Issue Pt 2 Start Page o79 Other Pages 80 Notes LR: 20150418; JID: 101648987; OID: NLM: PMC4384571; OTO: NOTNLM; 2015/02/01 [ecollection]; 2014/12/15 [received]; 2014/12/20 [accepted]; 2015/01/03 [epublish]; epublish Place of Publication England ISSN/ISBN 2056-9890 Accession Number PMID: 25878881 Language eng SubFile Journal Article DOI 10.1107/S2056989014027819 [doi] Output Language Unknown(0) PMID 25878881 Abstract The asymmetric unit of the title compound, C15H13N3O3.H2O, comprises a 4-{(E)-[2-(pyridin-4-ylcarbon-yl)hydrazinyl-idene]meth-yl}phenyl acetate mol-ecule and a solvent water mol-ecule linked by O-Hcdots, three dots, centeredO and O-Hcdots, three dots, centeredN hydrogen bonds from the water mol-ecule and a C-Hcdots, three dots, centeredO contact from the organic mol-ecule. The compound adopts an E conformation with respect to the azomethine bond and the dihedral angle between the pyridine and benzene rings is 21.90 (7) degrees . The azomethine bond [1.275 (2) A] distance is very close to the formal C=N bond length, which confirms the azomethine bond formation. An extensive set of O-Hcdots, three dots, centeredO, O-Hcdots, three dots, centeredN, N-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredO hydrogen bonds builds a two-dimensional network progressing along the c axis. Descriptors Links Book Title Database Publisher Data Source Authors Datta,R., Ramya,V., Sithambaresan,M., Kurup,M.R. Original/Translated Title URL Date of Electronic 20150103 PMCID PMC4384571 Editors
Crystal structure of 4-bromo-2-[(E)-N-(2,2,6,6-tetra-methyl-piperidin-4-yl)carboximido-yl]phenol dihydrate	2015	Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.; Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egy	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full Acta crystallographica.Section E, Crystallographic communications Periodical, Abbrev. Acta Crystallogr.E.Crystallogr.Commun. Pub Date Free Form 25-Apr Volume 71 Issue Pt 5 Start Page o349 Other Pages 50 Notes LR: 20150524; JID: 101648987; OID: NLM: PMC4420100; OTO: NOTNLM; 2015/05/01 [ecollection]; 2015/04/09 [received]; 2015/04/16 [accepted]; 2015/04/25 [epublish]; epublish Place of Publication England ISSN/ISBN 2056-9890 Accession Number PMID: 25995942 Language eng SubFile Journal Article DOI 10.1107/S2056989015007471 [doi] Output Language Unknown(0) PMID 25995942 Abstract In the title hydrate, C16H23BrN2O.2H2O, the organic mol-ecule features a strong intra-molecular O-Hcdots, three dots, centeredN hydrogen bond. The piperidine ring, in addition, adopts a chair conformation with the exocyclic C-N bond in an equatorial orientation. The water molecules of crystallization are disordered (each over two sets of sites with half occupancy. In the crystal, they associate into corrugated (100) sheets of (H2O)4 tetra-mers linked by O-Hcdots, three dots, centeredO hydrogen bonds. The organic mol-ecules, in turn, are arranged at both sides of these sheets, linked by water-piperidine O-Hcdots, three dots, centeredN hydrogen bonds. Descriptors Links Book Title Database Publisher Data Source Authors Mague,J.T., Mohamed,S.K., Akkurt,M., Abdelhamid,A.A., Albayati,M.R. Original/Translated Title URL Date of Electronic 20150425 PMCID PMC4420100 Editors
Crystal structure of 4-chloro-N-[2-(piperidin-1-yl)eth-yl]benzamide monohydrate	2015	PG and Research Department of Physics, Queen Mary's College, Chennai-4, Tamilnadu, India.; Department of Chemistry, Madras Christian College, Chennai-59, India.; PG and Research Department of Physics, Queen Mary's College, Chennai-4, Tamilnadu, India.; PG	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full Acta crystallographica.Section E, Crystallographic communications Periodical, Abbrev. Acta Crystallogr.E.Crystallogr.Commun. Pub Date Free Form 1-Jan Volume 71 Issue Pt 1 Start Page o39 Other Pages 40 Notes LR: 20150225; JID: 101648987; OID: NLM: PMC4331843; OTO: NOTNLM; 2015/01/01 [ecollection]; 2014/12/02 [received]; 2014/12/07 [accepted]; epublish Place of Publication England ISSN/ISBN 2056-9890 Accession Number PMID: 25705496 Language eng SubFile Journal Article DOI 10.1107/S2056989014026851 [doi] Output Language Unknown(0) PMID 25705496 Abstract In the title compound, C14H19ClN2O2.H2O, the piperdine ring adopts a chair conformation. The dihedral angle between the mean plane of the piperidine ring and that of the phenyl ring is 41.64 (1) degrees . In the crystal, mol-ecules are linked by O-Hcdots, three dots, centeredN, N-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredO hydrogen bonds involving the water mol-ecule, forming double-stranded chains propagating along [010]. Descriptors Links Book Title Database Publisher Data Source Authors Prathebha,K., Reuben Jonathan,D., Revathi,B.K., Sathya,S., Usha,G. Original/Translated Title URL Date of Electronic 20150101 PMCID PMC4331843 Editors
Crystal structure of 4-chloro-N-{[1-(4-chloro-benzo-yl)piperidin-4-yl]meth-yl}benzamide monohydrate	2014	PG and Research Department of Physics, Queen Mary's College, Chennai-4, Tamilnadu, India.; Department of Chemistry, Madras Christian College, Chennai-59, India.; PG and Research Department of Physics, Queen Mary's College, Chennai-4, Tamilnadu, India.; PG	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full Acta crystallographica.Section E, Structure reports online Periodical, Abbrev. Acta Crystallogr.Sect.E.Struct.Rep.Online Pub Date Free Form 3-Sep Volume 70 Issue Pt 10 Start Page o1080 Other Pages Notes LR: 20141215; JID: 101089178; OID: NLM: PMC4257193; OTO: NOTNLM; 2014/10/01 [ecollection]; 2014/07/24 [received]; 2014/08/14 [accepted]; 2014/09/03 [epublish]; epublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 25484682 Language eng SubFile Journal Article DOI 10.1107/S1600536814018522 [doi] Output Language Unknown(0) PMID 25484682 Abstract In the title compound, C20H20Cl2N2O2.H2O, the piperidine ring adopts a chair conformation with the two substituent benzene rings inclined to one another [dihedral angle 84.63 (9) degrees ]. In the crystal, the components are linked by Ow-Hcdots, three dots, centeredO, N-Hcdots, three dots, centeredOw (w = water) and C-Hcdots, three dots, centeredO hydrogen bonds, generating a sheet structure lying parallel to (101). Descriptors Links Book Title Database Publisher Data Source Authors Prathebha,K., Reuben Jonathan,D., Sathya,S., Jovita,J., Usha,G. Original/Translated Title URL Date of Electronic 20140903 PMCID PMC4257193 Editors

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