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

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

In the title ester derivative, C28H29NO6·0.5H2O, 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...

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Main Authors: S. Aravindhan, S. Narasimhan, Karthik Ananth, C. Suresh Kumar, P. Sharmila
Format: Article
Language:English
Published: International Union of Crystallography 2013-03-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536813004108
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spelling doaj-98f585c719ee4c94bd3d6f83590f3b912020-11-25T01:38:20ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-03-01693o389o38910.1107/S1600536813004108Diethyl 2,6-dimethyl-4-[4-(3-phenylacryloyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate hemihydrateS. AravindhanS. NarasimhanKarthik AnanthC. Suresh KumarP. SharmilaIn the title ester derivative, C28H29NO6·0.5H2O, 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).http://scripts.iucr.org/cgi-bin/paper?S1600536813004108
collection DOAJ
language English
format Article
sources DOAJ
author S. Aravindhan
S. Narasimhan
Karthik Ananth
C. Suresh Kumar
P. Sharmila
spellingShingle S. Aravindhan
S. Narasimhan
Karthik Ananth
C. Suresh Kumar
P. Sharmila
Diethyl 2,6-dimethyl-4-[4-(3-phenylacryloyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate hemihydrate
Acta Crystallographica Section E
author_facet S. Aravindhan
S. Narasimhan
Karthik Ananth
C. Suresh Kumar
P. Sharmila
author_sort S. Aravindhan
title 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_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_sort diethyl 2,6-dimethyl-4-[4-(3-phenylacryloyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate hemihydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2013-03-01
description In the title ester derivative, C28H29NO6·0.5H2O, 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).
url http://scripts.iucr.org/cgi-bin/paper?S1600536813004108
work_keys_str_mv AT saravindhan diethyl26dimethyl443phenylacryloyloxyphenyl14dihydropyridine35dicarboxylatehemihydrate
AT snarasimhan diethyl26dimethyl443phenylacryloyloxyphenyl14dihydropyridine35dicarboxylatehemihydrate
AT karthikananth diethyl26dimethyl443phenylacryloyloxyphenyl14dihydropyridine35dicarboxylatehemihydrate
AT csureshkumar diethyl26dimethyl443phenylacryloyloxyphenyl14dihydropyridine35dicarboxylatehemihydrate
AT psharmila diethyl26dimethyl443phenylacryloyloxyphenyl14dihydropyridine35dicarboxylatehemihydrate
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