Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782261575203160064 |
---|---|
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). |
format | Online Article Text |
id | pubmed-3588479 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT sharmilap diethyl26dimethyl443phenylacryloyloxyphenyl14dihydropyridine35dicarboxylatehemihydrate AT sureshkumarc diethyl26dimethyl443phenylacryloyloxyphenyl14dihydropyridine35dicarboxylatehemihydrate AT ananthkarthik diethyl26dimethyl443phenylacryloyloxyphenyl14dihydropyridine35dicarboxylatehemihydrate AT narasimhans diethyl26dimethyl443phenylacryloyloxyphenyl14dihydropyridine35dicarboxylatehemihydrate AT aravindhans diethyl26dimethyl443phenylacryloyloxyphenyl14dihydropyridine35dicarboxylatehemihydrate |