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2,4,6,8-Tetra-kis(2-methoxy-phen-yl)-3,7-diaza-bicyclo-[3.3.1]nonan-9-one diethyl ether hemisolvate 2009
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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
o2486
Other Pages
7
Notes
LR: 20111209; JID: 101089178; OID: NLM: PMC2970300; 2009/09/08 [received]; 2009/09/11 [accepted]; 2009/09/19 [epublish]; epublish
Place of Publication
England
ISSN/ISBN
1600-5368; 1600-5368
Accession Number
PMID: 21577937
Language
eng
SubFile
Journal Article
DOI
10.1107/S1600536809036733 [doi]
Output Language
Unknown(0)
PMID
21577937
Abstract
In the title compound, C(35)H(36)N(2)O(5).0.5C(4)H(10)O, the asymmetric unit contains one bicyclo-[3.3.1]nonane mol-ecule and a half-occupancy diethyl ether solvent with the O atom lying on a crystallographic inversion center. Two intra-molecular N-Hcdots, three dots, centeredO hydrogen bonds generate S(6) ring motifs. The bicyclo-[3.3.1]nonane ring system adopts a chair-boat conformation. In the crystal structure, the mol-ecules are linked by weak inter-molecular C-Hcdots, three dots, centeredN hydro-gen bonds into chains along the b axis; additional stabilization is provide by C-Hcdots, three dots, centeredpi inter-actions.
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Data Source
Authors
Fun,H. K., Yeap,C. S., Rajesh,K., Sarveswari,S., Vijayakumar,V.
Original/Translated Title
URL
Date of Electronic
20090919
PMCID
PMC2970300
Editors
3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo-[4,3-c][1,2]benzothia-zin-2-yl)phen-y l]-2-hy-droxy-1-mesitylprop-2-en-1-one hexane hemisolvate 2012
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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-Feb
Volume
68
Issue
Pt 2
Start Page
o460
Other Pages
1
Notes
LR: 20130227; JID: 101089178; OID: NLM: PMC3275214; 2011/12/02 [received]; 2012/01/07 [accepted]; 2012/01/18 [epublish]; ppublish
Place of Publication
United States
ISSN/ISBN
1600-5368; 1600-5368
Accession Number
PMID: 22347070
Language
eng
SubFile
Journal Article
DOI
10.1107/S1600536812000712 [doi]
Output Language
Unknown(0)
PMID
22347070
Abstract
In the title compound, C(29)H(27)N(3)O(4)S.0.5C(6)H(14), the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.500 (5) and 0.229 (5) A, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The mean planes of the pyrazole ring and the benzene ring bonded to it form a dihedral angle of 35.76 (11) degrees and an intra-molecular O-Hcdots, three dots, centeredO hydrogen bond ocurs. The crystal structure features O-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredO hydrogen bonds. There is a half-mol-ecule of hexane in the asymmetric unit lying about an inversion center. It is disordered over two sets of sites with occupancy factors 0.590 (9) and 0.410 (9).
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Database
Publisher
Data Source
Authors
Bukhari,M.H., Ahmad,M., Siddiqui,H.L., Gul,S., Parvez,M.
Original/Translated Title
URL
Date of Electronic
20120118
PMCID
PMC3275214
Editors
3-Ethyl 5-methyl 2-hydr-oxy-6-methyl-4-(4-nitro-phen-yl)-2-trifluoro-methyl-1,2,3,4-tetra-hydro-py ridine-3,5-dicarboxyl-ate 2008
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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
64
Issue
Pt 9
Start Page
o1737
Other Pages
Notes
LR: 20111209; JID: 101089178; OID: NLM: PMC2960706; 2008/07/22 [received]; 2008/08/02 [accepted]; 2008/08/09 [epublish]; epublish
Place of Publication
England
ISSN/ISBN
1600-5368; 1600-5368
Accession Number
PMID: 21201720
Language
eng
SubFile
Journal Article
DOI
10.1107/S1600536808024835 [doi]
Output Language
Unknown(0)
PMID
21201720
Abstract
In the title compound, C(18)H(19)F(3)N(2)O(7), the tetrahydropyridine ring adopts a half-chair conformation. The nitro group is disordered over two sites with occupancies of 0.780 (15) and 0.220 (15). An intra-molecular N-Hcdots, three dots, centeredF hydrogen bond is observed in the mol-ecular structure. The mol-ecules are linked into a two-dimensional network parallel to (100) by O-Hcdots, three dots, centeredO, N-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredO hydrogen bonds.
Descriptors
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Book Title
Database
Publisher
Data Source
Authors
Yu,C. X., Qian,P. L., Ping,J. J., Yao,C. S.
Original/Translated Title
URL
Date of Electronic
20080809
PMCID
PMC2960706
Editors
3-Isopropyl-1-{2-[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]acet-yl}-2,6-di-phenyl-pi peridin-4-one hemihydrate 2013 Research Development Centre, Orchid Chemicals and Pharmaceuticals Ltd, Sozhinganallur, Chennai 600 119, India ; Department of Chemistry, Presidency College (Autonomous), Chennai 600 005, India.; Centre of Advanced Study in Crystallography and Biophysics,
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Print(0)
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Journal Article
Periodical, Full
Acta crystallographica.Section E, Structure reports online
Periodical, Abbrev.
Acta Crystallogr.Sect.E.Struct.Rep.Online
Pub Date Free Form
2-Oct
Volume
69
Issue
Pt 11
Start Page
o1598
Other Pages
Notes
LR: 20140127; JID: 101089178; OID: NLM: PMC3884276; 2013/11/01 [ecollection]; 2013/09/04 [received]; 2013/09/25 [accepted]; 2013/10/02 [epublish]; epublish
Place of Publication
United States
ISSN/ISBN
1600-5368; 1600-5368
Accession Number
PMID: 24454052
Language
eng
SubFile
Journal Article
DOI
10.1107/S1600536813026500 [doi]
Output Language
Unknown(0)
PMID
24454052
Abstract
In the title compound, C24H27N5O2S.0.5H2O, the piperidine ring adopts a distorted boat conformation. The phenyl rings subtend dihedral angles of 69.7 (1) and 88.7 (1) degrees with the best plane through the piperidine moiety. In the crystal, symmetry-related mol-ecules are linked through a network of C-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredN inter-actions, the former connecting them into zigzag chains along the c-axis direction and the latter forming an R (2) 2(4)motif. The dimer formation (C-Hcdots, three dots, centeredN) and the repetition of symmetry-related molecules (C-Hcdots, three dots, centeredO) along the b-axis direction stabilize the packing mode. The water mol-ecule is located on a twofold rotation axis.
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Database
Publisher
Data Source
Authors
Ganesan,S., Sugumar,P., Ananthan,S., Ponnuswamy,M.N.
Original/Translated Title
URL
Date of Electronic
20131002
PMCID
PMC3884276
Editors
3-Oxo-5-(piperidin-1-yl)-2,3-dihydro-1H-pyrazole-4-carbonitrile 2011
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Print(0)
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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
67
Issue
Pt 12
Start Page
o3318
Other Pages
Notes
LR: 20130228; JID: 101089178; OID: NLM: PMC3238968; 2011/10/13 [received]; 2011/11/10 [accepted]; 2011/11/16 [epublish]; ppublish
Place of Publication
United States
ISSN/ISBN
1600-5368; 1600-5368
Accession Number
PMID: 22199817
Language
eng
SubFile
Journal Article
DOI
10.1107/S1600536811047714 [doi]
Output Language
Unknown(0)
PMID
22199817
Abstract
In the title compound, C(9)H(12)N(4)O, the piperidine ring adopts a chair conformation and makes a dihedral angle of 42.49 (11) degrees with the approximately planar pyrazole moiety [maximum deviation = 0.038 (2) A]. In the crystal, N-Hcdots, three dots, centeredO and N-Hcdots, three dots, centeredN hydrogen bonds and a weak C-Hcdots, three dots, centeredO inter-action link the mol-ecules into sheets lying parallel to (110).
Descriptors
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Database
Publisher
Data Source
Authors
Al-Adiwish,W. M., Yaacob,W. A., Adan,D., Mohamed Tahir,M. I., Kassim,M. B.
Original/Translated Title
URL
Date of Electronic
20111116
PMCID
PMC3238968
Editors
3,3,6,6-Tetrakis-(hydroxy-meth-yl)-1,2,4,5-tetra-zinane tetra-hydrate 2009
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
4-Nov
Volume
65
Issue
Pt 12
Start Page
o2988
Other Pages
Notes
LR: 20111209; JID: 101089178; OID: NLM: PMC2971896; 2009/10/28 [received]; 2009/10/29 [accepted]; 2009/11/04 [epublish]; epublish
Place of Publication
England
ISSN/ISBN
1600-5368; 1600-5368
Accession Number
PMID: 21578728
Language
eng
SubFile
Journal Article
DOI
10.1107/S1600536809045590 [doi]
Output Language
Unknown(0)
PMID
21578728
Abstract
In the title compound, C(6)H(16)N(4)O(4).4H(2)O, the tetra-zinane mol-ecule lies across an inversion centre. The tetra-zinane ring adopts a chair conformation, and all imino H atoms occupy axial positions. In the crystal, adjacent mol-ecules are linked through O-Hcdots, three dots, centeredO, O-Hcdots, three dots, centeredN and N-Hcdots, three dots, centeredO hydrogen bonds with water mol-ecules generating a three-dimensional network.
Descriptors
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Book Title
Database
Publisher
Data Source
Authors
Kongsutjarit,S., Thamyongkit,P., Muangsin,N., Chaichit,N., Petsom,A., Ng,S. W.
Original/Translated Title
URL
Date of Electronic
20091104
PMCID
PMC2971896
Editors
4-(4-Bromo-benzyl-ideneamino)-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1-(mor-ph ol-ino-meth-yl)-1H-1,2,4-triazole-5(4H)-thione 2008
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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-Jul
Volume
64
Issue
Pt 8
Start Page
o1570
Other Pages
1
Notes
LR: 20111209; JID: 101089178; OID: NLM: PMC2962191; 2008/07/13 [received]; 2008/07/18 [accepted]; 2008/07/23 [epublish]; epublish
Place of Publication
England
ISSN/ISBN
1600-5368; 1600-5368
Accession Number
PMID: 21203272
Language
eng
SubFile
Journal Article
DOI
10.1107/S160053680802254X [doi]
Output Language
Unknown(0)
PMID
21203272
Abstract
There are two mol-ecules (A and B) in the asymmetric unit of the title compound, C(26)H(32)BrN(5)OS, with almost identical geometry. The morpholine ring adopts the usual chair conformation in both mol-ecules. The triazole ring forms dihedral angles of 4.84 (6) and 74.19 (6) degrees , respectively, with the bromo-phenyl and isobutylbenzene rings in mol-ecule A, and angles of 16.68 (7) and 87.29 (6) degrees , respectively, in mol-ecule B. Intra-molecular C-Hcdots, three dots, centeredS hydrogen bonds generate S(5) and S(6) ring motifs in both independent mol-ecules. The crystal structure is stabilized by C-Hcdots, three dots, centeredN, C-Hcdots, three dots, centeredBr and C-Hcdots, three dots, centeredO hydrogen-bonding inter-actions, together with C-Hcdots, three dots, centeredpi inter-actions.
Descriptors
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Book Title
Database
Publisher
Data Source
Authors
Fun,H. K., Jebas,S. R., Patil,P. S., Kalluraya,B., Muralidharan,A.
Original/Translated Title
URL
Date of Electronic
20080723
PMCID
PMC2962191
Editors
4-(4-Chloro-phen-yl)piperidin-4-ol 2010
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-Feb
Volume
66
Issue
Pt 3
Start Page
o562
Other Pages
Notes
LR: 20111209; JID: 101089178; OID: NLM: PMC2983646; 2010/01/28 [received]; 2010/02/02 [accepted]; 2010/02/06 [epublish]; epublish
Place of Publication
England
ISSN/ISBN
1600-5368; 1600-5368
Accession Number
PMID: 21580330
Language
eng
SubFile
Journal Article
DOI
10.1107/S1600536810004216 [doi]
Output Language
Unknown(0)
PMID
21580330
Abstract
In the title compound, C(11)H(14)ClNO, the piperidine ring adopts a chair conformation: the hydroxyl substituent and the N-bound H atom occupy the axial positions, while the benzene ring occupies the equatorial position. In the crystal, the mol-ecules are linked into a centrosymmetric tetra-mer through strong O-Hcdots, three dots, centeredN and weak N-Hcdots, three dots, centeredO hydrogen bonds; the N and O atoms act as both donor and acceptor for these inter-actions. The tetra-mers are further joined by hydrogen bonds into a layer parallel to (100).
Descriptors
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Database
Publisher
Data Source
Authors
Dutkiewicz,G., Siddaraju,B. P., Yathirajan,H. S., Siddegowda,M. S., Kubicki,M.
Original/Translated Title
URL
Date of Electronic
20100206
PMCID
PMC2983646
Editors
4-(Piperidin-1-yl)-4H-benzo[b]tetra-zolo[1,5-d][1,4]diazepin-5(6H)-one 2010
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
4-Dec
Volume
67
Issue
Pt 1
Start Page
o23
Other Pages
4
Notes
LR: 20111209; JID: 101089178; OID: NLM: PMC3050344; 2010/11/15 [received]; 2010/11/29 [accepted]; 2010/12/04 [epublish]; epublish
Place of Publication
England
ISSN/ISBN
1600-5368; 1600-5368
Accession Number
PMID: 21522729
Language
eng
SubFile
Journal Article
DOI
10.1107/S1600536810049950 [doi]
Output Language
Unknown(0)
PMID
21522729
Abstract
There are two crystallographically unique mol-ecules present in the asymmetric unit of the title compound, C(14)H(16)N(6)O; in both mol-ecules, the seven-membered diazepinone ring adopts a boat-like conformation and the chair conformation piperidine ring is an axial substituent on the diazepinone ring. In the crystal, each mol-ecule forms hydrogen bonds with its respective symmetry equivalents. Hydrogen bonding between mol-ecule A and symmetry equivalents forms two ring motifs, the first formed by inversion-related N-Hcdots, three dots, centeredO inter-actions and the second formed by C-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredN inter-actions. The combination of both ring motifs results in the formation of an infinite double tape, which propagates in the a-axis direction. Hydrogen bonding between mol-ecule B and symmetry equivalents forms one ring motif by inversion-related N-Hcdots, three dots, centeredO inter-actions and a second ring motif by C-Hcdots, three dots, centeredO inter-actions, which propagate as a single tape parallel with the c axis.
Descriptors
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Book Title
Database
Publisher
Data Source
Authors
Nichol,G. S., Xu,Z., Kaiser,C. E., Hulme,C.
Original/Translated Title
URL
Date of Electronic
20101204
PMCID
PMC3050344
Editors
4-[(2-Hydr-oxy-1-naphth-yl)(piperidin-1-yl)meth-yl]benzonitrile 2009 Ordered Matter Science Research Center, College of Chemistry and Chemical, Engineering, Southeast UniVersity, Nanjing 211189, People's Republic of China.
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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
29-Aug
Volume
65
Issue
Pt 9
Start Page
o2257
Other Pages
Notes
LR: 20111209; JID: 101089178; OID: NLM: PMC2970085; 2009/06/10 [received]; 2009/08/24 [accepted]; 2009/08/29 [epublish]; epublish
Place of Publication
England
ISSN/ISBN
1600-5368; 1600-5368
Accession Number
PMID: 21577653
Language
eng
SubFile
Journal Article
DOI
10.1107/S1600536809033728 [doi]
Output Language
Unknown(0)
PMID
21577653
Abstract
In the title compound, C(23)H(22)N(2)O, obtained from the condensation reaction of 4-formyl-benzonitrile, 2-naphthol and piperidine, the dihedral angle between the naphthalene ring system and the benzene ring is 75.31 (4) degrees . The piperidine ring adopts a chair conformation. The crystal structure is stabilized by inter-molecular C-Hcdots, three dots, centeredN hydrogen bonds, which link the mol-ecules into centrosymmetric dimers. An intra-molecular O-Hcdots, three dots, centeredN hydrogen bond is also present.
Descriptors
Links
Book Title
Database
Publisher
Data Source
Authors
Zhang,Y., Li,Y. H.
Original/Translated Title
URL
Date of Electronic
20090829
PMCID
PMC2970085
Editors