rac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate
The title molecule, C21H25NO7, has four stereogenic centres and crystallized as a racemate. It consists of enantiomeric pairs with the relative configuration rac-(1R*,2S*,3R*). The cyclohexenone ring adopts an envelope conformation; the dimethyl-substituted C atom lies 0.640 (1) ...
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International Union of Crystallography
2013-01-01
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812050581 |
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doaj-02792cc4efd64491819bdbaecffafe0f2020-11-25T01:40:37ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-01-01691o99o9910.1107/S1600536812050581rac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylateKonstantin A. PotekhinRizvan K. AskerovBahruz A. RashidovArif I. IsmievAbel M. MaharramovThe title molecule, C21H25NO7, has four stereogenic centres and crystallized as a racemate. It consists of enantiomeric pairs with the relative configuration rac-(1R*,2S*,3R*). The cyclohexenone ring adopts an envelope conformation; the dimethyl-substituted C atom lies 0.640 (1) Å out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.016 Å). The oxacyclohexene ring adopts a half-chair conformation, the hydroxy- and carboxyl-substituted C atoms lying −0.336 (1) and 0.419 (1) Å, respectively, out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.002 Å). In the crystal, O—H...O hydrogen bonds link the molecules into a chain along the c-axis direction.http://scripts.iucr.org/cgi-bin/paper?S1600536812050581 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Konstantin A. Potekhin Rizvan K. Askerov Bahruz A. Rashidov Arif I. Ismiev Abel M. Maharramov |
spellingShingle |
Konstantin A. Potekhin Rizvan K. Askerov Bahruz A. Rashidov Arif I. Ismiev Abel M. Maharramov rac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate Acta Crystallographica Section E |
author_facet |
Konstantin A. Potekhin Rizvan K. Askerov Bahruz A. Rashidov Arif I. Ismiev Abel M. Maharramov |
author_sort |
Konstantin A. Potekhin |
title |
rac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate |
title_short |
rac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate |
title_full |
rac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate |
title_fullStr |
rac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate |
title_full_unstemmed |
rac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate |
title_sort |
rac-ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2h-chromene-3-carboxylate |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2013-01-01 |
description |
The title molecule, C21H25NO7, has four stereogenic centres and crystallized as a racemate. It consists of enantiomeric pairs with the relative configuration rac-(1R*,2S*,3R*). The cyclohexenone ring adopts an envelope conformation; the dimethyl-substituted C atom lies 0.640 (1) Å out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.016 Å). The oxacyclohexene ring adopts a half-chair conformation, the hydroxy- and carboxyl-substituted C atoms lying −0.336 (1) and 0.419 (1) Å, respectively, out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.002 Å). In the crystal, O—H...O hydrogen bonds link the molecules into a chain along the c-axis direction. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536812050581 |
work_keys_str_mv |
AT konstantinapotekhin racethyl2hydroxy277trimethyl44nitrophenyl5oxo345678hexahydro2hchromene3carboxylate AT rizvankaskerov racethyl2hydroxy277trimethyl44nitrophenyl5oxo345678hexahydro2hchromene3carboxylate AT bahruzarashidov racethyl2hydroxy277trimethyl44nitrophenyl5oxo345678hexahydro2hchromene3carboxylate AT arifiismiev racethyl2hydroxy277trimethyl44nitrophenyl5oxo345678hexahydro2hchromene3carboxylate AT abelmmaharramov racethyl2hydroxy277trimethyl44nitrophenyl5oxo345678hexahydro2hchromene3carboxylate |
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1725044565152366592 |