WTS database

Title Sort descending	Pub Year	Author	SearchLink
N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)ben zene-sulfonamide	2012	Department of Studies in Physics, Manasagangotri, University of Mysore, Mysore 570 006, India.	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-Nov Volume 68 Issue Pt 11 Start Page o3209 Other Pages 10 Notes LR: 20130418; JID: 101089178; OID: NLM: PMC3515297; 2012/10/08 [received]; 2012/10/22 [accepted]; 2012/10/27 [epublish]; ppublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 23284517 Language eng SubFile Journal Article DOI 10.1107/S1600536812043668 [doi] Output Language Unknown(0) PMID 23284517 Abstract The title compound, C(22)H(23)BrN(4)O(3)S(2), crystallizes with two mol-ecules, A and B, in the asymmetric unit. In one of these, the meth-oxy group is disordered over two sets of sites in a 0.565 (9):0.435 (9) ratio. The benzene rings bridged by the sulfonamide group are tilted relative to each other by 37.4 (1) and 56.1 (1) degrees in mol-ecules A and B, respectively, while the dihedral angles between the sulfur-bridged pyrimidine and benzene rings are 72.4 (1) and 70.2 (1) degrees for A and B, respectively. The piperidine ring adopts a chair conformation in both mol-ecules. In the crystal, inversion dimers linked by pairs of N-Hcdots, three dots, centeredN hydrogen bonds occur for both A and B; the dimers are linked into [010] chains by C-Hcdots, three dots, centeredO hydrogen bonds. The crystal structure also features inversion-generated aromatic pi-pi stacking inter-actions between the pyrimidine rings for both mol-ecules [centroid-centroid distances = 3.412 (2) (mol-ecule A) and 3.396 (2) A (mol-ecule B)]. Descriptors Links Book Title Database Publisher Data Source Authors Kumar,M., Mallesha,L., Sridhar,M.A., Kapoor,K., Gupta,V.K., Kant,R. Original/Translated Title URL Date of Electronic 20121027 PMCID PMC3515297 Editors
N-(4-Fluoro-benzo-yl)-N',N''-diisopropyl-phospho-ric triamide	2012	Department of Chemistry, Ferdowsi University of Mashhad, Mashhad, Iran.	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-Dec Volume 68 Issue Pt 12 Start Page o3406 Other Pages 7 Notes LR: 20130418; JID: 101089178; OID: NLM: PMC3588995; 2012/11/06 [received]; 2012/11/09 [accepted]; 2012/11/24 [epublish]; ppublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 23476231 Language eng SubFile Journal Article DOI 10.1107/S1600536812046326 [doi] Output Language Unknown(0) PMID 23476231 Abstract The asymmetric unit of the title phospho-ric triamide, C13H21FN3O2P, consists of two independent mol-ecules. In each mol-ecule, the P=O group and the N-H unit belonging to the C(O)NHP(O) fragment are in a syn conformation with respect to each other. An intra-molecular N-Hcdots, three dots, centeredO hydrogen bond occurs in each mol-ecule. The P atom adopts a distorted tetra-hedral environment. The methyl groups of an isopropyl fragment are disordered over two sets of sites with refined occupancies of 0.458 (5) and 0.542 (5). In the crystal, mol-ecules are linked through N-Hcdots, three dots, centeredO(=P) and N-Hcdots, three dots, centeredO(=C) hydrogen bonds into chains along [001]. Descriptors Links Book Title Database Publisher Data Source Authors Pourayoubi,M., Tarahhomi,A., Rheingold,A.L., Golen,J.A. Original/Translated Title URL Date of Electronic 20121124 PMCID PMC3588995 Editors
N-(4-Meth-oxy-phen-yl)-6-methyl-2-phenyl-5-{[4-(tri-fluoro-meth-yl)anilino]meth-y l}pyrimidin-4-amine	2013	Department of Organic Chemistry, Wroclaw Medical University, 9 Grodzka St, 50-137 Wroclaw, Poland.; Department of Applied Pharmacy, Wroclaw Medical Uniwersity, 38 Szewska St, 50-137 Wroclaw, Poland.; Department of Bioorganic Chemistry, Faculty of Engineer	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 27-Nov Volume 69 Issue Pt 12 Start Page o1831 Other Pages 2 Notes LR: 20140127; JID: 101089178; OID: NLM: PMC3885078; 2013/12/01 [ecollection]; 2013/11/16 [received]; 2013/11/20 [accepted]; 2013/11/27 [epublish]; epublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 24454254 Language eng SubFile Journal Article DOI 10.1107/S160053681303170X [doi] Output Language Unknown(0) PMID 24454254 Abstract The title compound, C26H23F3N4O, crystallizes with two symmetry-independent mol-ecules in the asymmetric unit, denoted A and B, which differ mainly in the rotation of the meth-oxy-phenyl ring. The -CF3 group of mol-ecule B is disordered by rotation, with the F atoms split over two sets of sites; the occupancy factor for the major component is 0.853 (4). The dihedral angles between the pyrimidine ring and the attached phenyl, meth-oxy-phenyl and tri-fluoro-methyl-phenyl rings are 8.1 (2), 37.5 (2) and 70.7 (2) degrees , respectively, in mol-ecule A, and 9.3 (2), 5.3 (2) and 79.7 (2) degrees in mol-ecule B. An intra-molecular N-Hcdots, three dots, centeredN hydrogen bond occurs in each mol-ecule. In the crystal, two crystallographically independent mol-ecules associate into a dimer via a pair of N-Hcdots, three dots, centeredN hydrogen bonds, with a resulting R 2 (2)(12) ring motif and pi-pi stacking inter-actions [centroid-centroid distance = 3.517 (4) A] between the pyrimidine rings. For the A mol-ecules, there are inter-molecular C-Hcdots, three dots, centeredO hydrogen bonds between an aryl C atom of meth-oxy-phenyl ring and a meth-oxy O atom of an adjacent mol-ecule. A similar inter-action is lacking in the B mol-ecules. Descriptors Links Book Title Database Publisher Data Source Authors Cieplik,J., Pluta,J., Bryndal,I., Lis,T. Original/Translated Title URL Date of Electronic 20131127 PMCID PMC3885078 Editors
N-[(E)-4-Pyridylmethyl-ene]-4-[(E)-4-(4-pyridylmethyl-eneamino)benz-yl]aniline tetra-hydrate	2007	Key Laboratory of Pesticides and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.	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-Dec Volume 64 Issue Pt 1 Start Page o115 Other Pages Notes LR: 20111209; JID: 101089178; OID: NLM: PMC2915186; 2007/11/21 [received]; 2007/11/25 [accepted]; 2007/12/06 [epublish]; epublish Place of Publication England ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 21200679 Language eng SubFile Journal Article DOI 10.1107/S1600536807063179 [doi] Output Language Unknown(0) PMID 21200679 Abstract The title compound, C(25)H(20)N(4).4H(2)O, crystallizes with the organic mol-ecule lying on a twofold rotation axis through the methyl-ene bridge C atom; there are also two water molecules in the asymmetric unit. The crystal structure is stabilized by C-Hcdots, three dots, centeredO, O-Hcdots, three dots, centeredO and O-Hcdots, three dots, centeredN hydrogen bonds, linking the water mol-ecules to each other and to the pyridine N atom. Descriptors Links Book Title Database Publisher Data Source Authors Hu,S. L., Li,Y. T., Cao,L. P. Original/Translated Title URL Date of Electronic 20071206 PMCID PMC2915186 Editors
N-[3a-(4-Bromo-phen-yl)-8b-hy-droxy-6,8-dimeth-oxy-3-phenyl-2,3,3a,8b-tetra-hydro -1H-cyclo-penta-[b]benzofuran-1-yl]formamide monohydrate	2013	Cristallographie, Resonance Magnetique et Modelisations (CRM2), UMR CNRS-UHP 7036, Institut Jean Barriol, Universite de Lorraine, BP 70239, Bd des Aiguillettes, 54506 Vandoeuvre-les-Nancy, France.	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-Jan Volume 69 Issue Pt 1 Start Page o52 Other Pages 3 Notes LR: 20130418; JID: 101089178; OID: NLM: PMC3588239; 2012/11/22 [received]; 2012/12/03 [accepted]; 2012/12/08 [epublish]; ppublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 23476436 Language eng SubFile Journal Article DOI 10.1107/S1600536812049641 [doi] Output Language Unknown(0) PMID 23476436 Abstract In the title compound, C26H24BrNO5.H2O, a synthetic analogue of natural flavagline, the cyclo-pentane ring adopts an envelope conformation (the flap atom bearing the phenyl group) and the vicinal phenyl and bromo-phenyl groups are slightly shifted relative to each other [CPh-C-C-CPhBr = 36.3 (2) degrees ]. Intra-molecular N-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredO hydrogen bonds form S(5) motifs. In the crystal, the organic and the water mol-ecules are linked by an O-Hcdots, three dots, centeredO hydrogen bond. Pairs of organic and water mol-ecules, located about inversion centers, inter-act through O-Hcdots, three dots, centeredO hydrogen bonds, forming R4(4)(20) and R4(4)(26) motifs, which together lead to C2(2)(9) motifs. The crystal packing is also characterized by N-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredO hydrogen bonds between neighbouring organic mol-ecules, forming R2(2)(10) and R2(2)(18) motifs, respectively. Descriptors Links Book Title Database Publisher Data Source Authors Aubert,E., Thuaud,F., Ribeiro,N., Desaubry,L., Espinosa,E. Original/Translated Title URL Date of Electronic 20121208 PMCID PMC3588239 Editors
N-[4-(4-Bromo-phen-yl)thia-zol-2-yl]-4-(piperidin-1-yl)butanamide	2012		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-Jun Volume 68 Issue Pt 6 Start Page o1665 Other Pages Notes JID: 101089178; OID: NLM: PMC3379262; 2012/04/28 [received]; 2012/04/29 [accepted]; 2012/05/12 [epublish]; ppublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 22719460 Language eng SubFile Journal Article DOI 10.1107/S1600536812019204 [doi] Output Language Unknown(0) PMID 22719460 Abstract In the title compound, C(18)H(22)BrN(3)OS, the piperidine ring adopts a chair conformation. The mean plane of the thia-zole ring forms dihedral angles of 23.97 (10) and 75.82 (10) degrees with the mean planes of its adjacent benzene and piperidine rings, respectively. An intra-molecular N-Hcdots, three dots, centeredN hydrogen bond generates an S(7) ring motif in the mol-ecule. In the crystal, no significant inter-moelcular hydrogen bonds are observed, but a weak pi-pi inter-action with a centroid-centroid distance of 3.8855 (13) A occurs. Descriptors Links Book Title Database Publisher Data Source Authors Ghabbour,H.A., Kadi,A.A., El-Subbagh,H.I., Chia,T.S., Fun,H.K. Original/Translated Title URL Date of Electronic 20120512 PMCID PMC3379262 Editors
N-{2-[4-(2-Meth-oxy-phen-yl)piperazin-1-yl]eth-yl}pyridin-2-amine monohydrate	2010	Key Laboratory of Nuclear Medicine, Ministry of Health, Jiangsu Key Laboratory of Molecular Nuclear Medicine, Jiangsu Institute of Nuclear Medicine, Wuxi 214063, People's Republic of China.	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 23-Jun Volume 66 Issue Pt 7 Start Page o1727 Other Pages Notes LR: 20111209; JID: 101089178; OID: NLM: PMC3006790; 2010/05/27 [received]; 2010/06/14 [accepted]; 2010/06/23 [epublish]; epublish Place of Publication England ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 21587944 Language eng SubFile Journal Article DOI 10.1107/S1600536810022816 [doi] Output Language Unknown(0) PMID 21587944 Abstract In the title compound, C(18)H(24)N(4)O.H(2)O, the piperizine ring adopts a chair conformation and the dihedral angle between the phenyl and pyridine rings is 39.9 (3) degrees . The comformations of the attachment of the anisole and N-ethyl-pyridin-2-amine groups to the piperazine ring are +anti-periplanar. An intra-molecular C-Hcdots, three dots, centeredO inter-action occurs. In the crystal, the water mol-ecule links the mol-ecules into chains through O-Hcdots, three dots, centeredN hydrogen bonds. Weak N-Hcdots, three dots, centeredO, C-Hcdots, three dots, centeredN and C-Hcdots, three dots, centeredO inter-actions further stabilize the crystal structure. Descriptors Links Book Title Database Publisher Data Source Authors Jiang,Q. F., Lu,C. X. Original/Translated Title URL Date of Electronic 20100623 PMCID PMC3006790 Editors
N'-{(E)-[5-(Hy-droxy-meth-yl)furan-2-yl]methyl-idene}pyridine-4-carbohydrazide dihydrate	2013	Department of Chemistry and Research Centre, PRNSS College, Mattanur 670 702, Kannur, Kerala, India.	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 27-Jul Volume 69 Issue Pt 8 Start Page o1342 Other Pages 3 Notes LR: 20140124; JID: 101089178; OID: NLM: PMC3793823; 2013/08/01 [ecollection]; 2013/06/30 [received]; 2013/07/20 [accepted]; 2013/07/27 [epublish]; epublish Place of Publication United States ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 24109410 Language eng SubFile Journal Article DOI 10.1107/S1600536813020114 [doi] Output Language Unknown(0) PMID 24109410 Abstract In the title compound, C12H11N3O3.2H2O, the dihedral angle formed by the planes of the pyridine and the furan rings of the organic carbohydrazide mol-ecule is 4.66 (7) degrees . In the crystal, these mol-ecules form stacks along the b-axis direction, neighbouring mol-ecules within each stack being related by inversion and the shortest distance between the centroids of the pyridine and furan rings being 3.714 (1) A. Mol-ecules from neighboring stacks are linked by pairs of N-Hcdots, three dots, centeredO hydrogen bonds. The water mol-ecules fill the channels between the stacks being linked by O-Hcdots, three dots, centeredO hydrogen bonds into helices along [010]. Besides this, water mol-ecules are involved in O-Hcdots, three dots, centeredN and O-Hcdots, three dots, centeredO hydrogen bonds with the carbohydrazide mol-ecules, thus forming a three-dimensional network, augmented by weak C-Hcdots, three dots, centeredO interactions. Descriptors Links Book Title Database Publisher Data Source Authors Prasanna,M.K., Sithambaresan,M., Pradeepkumar,K., Kurup,M.R. Original/Translated Title URL Date of Electronic 20130727 PMCID PMC3793823 Editors
N'-[(E)-(4-Bromo-2-thien-yl)methyl-idene]benzohydrazide 0.06-hydrate	2009		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 19-Sep Volume 65 Issue Pt 10 Start Page o2501 Other Pages Notes LR: 20111209; JID: 101089178; OID: NLM: PMC2970472; 2009/09/12 [received]; 2009/09/15 [accepted]; 2009/09/19 [epublish]; epublish Place of Publication England ISSN/ISBN 1600-5368; 1600-5368 Accession Number PMID: 21577950 Language eng SubFile Journal Article DOI 10.1107/S1600536809037350 [doi] Output Language Unknown(0) PMID 21577950 Abstract The title compound, C(12)H(9)BrN(2)OS.0.06H(2)O, is a hydrated Schiff base derived from benzoic hydrazide and 4-bromo-thio-phene-2-carboxaldehide. The two Schiff base mol-ecules in the asymmetric unit differ crystallographically: in one mol-ecule the dihedral angle between the benzene ring and thio-phene ring is 49.88 (11) degrees , whereas the other mol-ecule the rings are almost coplanar with an r.m.s. deviation for the non-H atoms of 0.025 A. In the crystal, mol-ecules form polymeric sheets linked by N-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredO hydrogen bonds. The water mol-ecule of crystallization is partially occupied and its H atoms could not be located. Descriptors Links Book Title Database Publisher Data Source Authors Shafiq,Z., Yaqub,M., Tahir,M. N., Hussain,A., Iqbal,M. S. Original/Translated Title URL Date of Electronic 20090919 PMCID PMC2970472 Editors
Narghile (hubble-bubble) smoking, low birth weight, and other pregnancy outcomes	1998	Nuwayhid, I.A., American University of Beirut, New York, NY 10022, United States	Read more...
Source Type Print(0) Ref Type Journal Article Periodical, Full American Journal of Epidemiology Periodical, Abbrev. Am.J.Epidemiol. Pub Date Free Form 1998/08 Volume 148 Issue 4 Start Page 375 Other Pages 383 Notes Place of Publication ISSN/ISBN 0002-9262 Accession Number Language SubFile DOI Output Language Unknown(0) PMID Abstract Narghile smoking, a common habit among women in many non-Western societies, is assumed by the public to be minimally harmful. This study aims at identifying the effect of smoking narghiles during pregnancy on the weight of the newborn and other pregnancy outcomes. Three groups of pregnant women were interviewed in several hospitals in Lebanon between 1993 and 1995: 106 who smoked narghiles during their pregnancy, 277 who smoked cigarettes, and 512 who did not smoke. The adjusted mean birth weight of babies born to women who smoked one or more narghiles a day during pregnancy and to women who started smoking in the first trimester was more than 100 g less than that of babies born to nonsmokers (p < 0.1). The adjusted odds ratio of having babies with low birth weight (<2,500 g) among the narghile smokers was 1.89 (95% confidence interval (CI) 0.67-5.38). The risk increased to 2.62 (95% CI 0.90- 7.66) among those who started smoking narghiles in the first trimester. A stronger association and a dose-response relation were found among cigarette smokers. The association between narghile smoking and other pregnancy outcomes, especially Apgar score and respiratory distress, was also noticeable. Further research and a policy action to fight the misperception that narghile smoking is safe are both recommended. Descriptors adult, Apgar score, article, controlled study, female, fetus outcome, human, Lebanon, low birth weight, major clinical study, respiratory distress, risk assessment, risk factor, smoking Links Book Title Database Embase; MEDLINE Publisher Data Source Embase Authors Nuwayhid,I. A., Yamout,B., Azar,G., Kambris,M. A. K. Original/Translated Title URL Date of Electronic PMCID Editors

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