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Diethyl 2,6-dimethyl-4-[4-(3-phenyl­acrylo­yloxy)phen­yl]-1,4-dihydro­pyridine-3,5-dicarboxyl­ate hemihydrate

In the title ester derivative, C(28)H(29)NO(6)·0.5H(2)O, the 1,4-dihydro­pyridine ring has a flattened boat conformation. The mean plane is almost perpendicular to the attached benzene ring, making a dihedral angle of 86.87 (9)°. The terminal phenyl ring is inclined to the central benzene ring by 67...

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Autores principales: Sharmila, P., Suresh Kumar, C., Ananth, Karthik, Narasimhan, S., Aravindhan, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588479/
https://www.ncbi.nlm.nih.gov/pubmed/23476574
http://dx.doi.org/10.1107/S1600536813004108
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author Sharmila, P.
Suresh Kumar, C.
Ananth, Karthik
Narasimhan, S.
Aravindhan, S.
author_facet Sharmila, P.
Suresh Kumar, C.
Ananth, Karthik
Narasimhan, S.
Aravindhan, S.
author_sort Sharmila, P.
collection PubMed
description In the title ester derivative, C(28)H(29)NO(6)·0.5H(2)O, the 1,4-dihydro­pyridine ring has a flattened boat conformation. The mean plane is almost perpendicular to the attached benzene ring, making a dihedral angle of 86.87 (9)°. The terminal phenyl ring is inclined to the central benzene ring by 67.56 (12)°. In the crystal, mol­ecules are bridged via O—H⋯O hydrogen bonds involving the partially occupied water mol­ecule, and this arrangement is strengthened by a pair of N—H⋯O hydrogen bonds and C—H⋯O inter­actions. The ethyl atoms of one of the ethyl ester groups are disordered over two sites with an occupancy ratio of 0.716 (5):0.284 (5).
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spelling pubmed-35884792013-03-08 Diethyl 2,6-dimethyl-4-[4-(3-phenyl­acrylo­yloxy)phen­yl]-1,4-dihydro­pyridine-3,5-dicarboxyl­ate hemihydrate Sharmila, P. Suresh Kumar, C. Ananth, Karthik Narasimhan, S. Aravindhan, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title ester derivative, C(28)H(29)NO(6)·0.5H(2)O, the 1,4-dihydro­pyridine ring has a flattened boat conformation. The mean plane is almost perpendicular to the attached benzene ring, making a dihedral angle of 86.87 (9)°. The terminal phenyl ring is inclined to the central benzene ring by 67.56 (12)°. In the crystal, mol­ecules are bridged via O—H⋯O hydrogen bonds involving the partially occupied water mol­ecule, and this arrangement is strengthened by a pair of N—H⋯O hydrogen bonds and C—H⋯O inter­actions. The ethyl atoms of one of the ethyl ester groups are disordered over two sites with an occupancy ratio of 0.716 (5):0.284 (5). International Union of Crystallography 2013-02-16 /pmc/articles/PMC3588479/ /pubmed/23476574 http://dx.doi.org/10.1107/S1600536813004108 Text en © Sharmila et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Sharmila, P.
Suresh Kumar, C.
Ananth, Karthik
Narasimhan, S.
Aravindhan, S.
Diethyl 2,6-dimethyl-4-[4-(3-phenyl­acrylo­yloxy)phen­yl]-1,4-dihydro­pyridine-3,5-dicarboxyl­ate hemihydrate
title Diethyl 2,6-dimethyl-4-[4-(3-phenyl­acrylo­yloxy)phen­yl]-1,4-dihydro­pyridine-3,5-dicarboxyl­ate hemihydrate
title_full Diethyl 2,6-dimethyl-4-[4-(3-phenyl­acrylo­yloxy)phen­yl]-1,4-dihydro­pyridine-3,5-dicarboxyl­ate hemihydrate
title_fullStr Diethyl 2,6-dimethyl-4-[4-(3-phenyl­acrylo­yloxy)phen­yl]-1,4-dihydro­pyridine-3,5-dicarboxyl­ate hemihydrate
title_full_unstemmed Diethyl 2,6-dimethyl-4-[4-(3-phenyl­acrylo­yloxy)phen­yl]-1,4-dihydro­pyridine-3,5-dicarboxyl­ate hemihydrate
title_short Diethyl 2,6-dimethyl-4-[4-(3-phenyl­acrylo­yloxy)phen­yl]-1,4-dihydro­pyridine-3,5-dicarboxyl­ate hemihydrate
title_sort diethyl 2,6-dimethyl-4-[4-(3-phenyl­acrylo­yloxy)phen­yl]-1,4-dihydro­pyridine-3,5-dicarboxyl­ate hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588479/
https://www.ncbi.nlm.nih.gov/pubmed/23476574
http://dx.doi.org/10.1107/S1600536813004108
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