3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrate
The asymmetric unit of the title compound, C14H17N3O3·0.25H2O, comprises two independent organic molecules and a water molecule lying on a crystallographic twofold rotation axis with 50% site occupancy. In both independent molecules, the cyclohexene rings adopt envelope conformations bu...
Main Authors: | , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
International Union of Crystallography
2010-09-01
|
Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810033933 |
id |
doaj-5091925378f54b3d89c31e06e2a50bcd |
---|---|
record_format |
Article |
spelling |
doaj-5091925378f54b3d89c31e06e2a50bcd2020-11-25T00:55:54ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-09-01669o2414o241510.1107/S16005368100339333-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrateSayed Hasan MehdiRokiah HashimRaza Murad GhalibJia Hao GohHoong-Kun FunThe asymmetric unit of the title compound, C14H17N3O3·0.25H2O, comprises two independent organic molecules and a water molecule lying on a crystallographic twofold rotation axis with 50% site occupancy. In both independent molecules, the cyclohexene rings adopt envelope conformations but superposition of the two molecules shows that the flap atoms point in opposite directions. In the crystal, N—H...O and C—H...O hydrogen bonds interconnect adjacent molecules into a three-dimensional network. Weak intermolecular π–π aromatic stacking interactions [centroid–centroid distances = 3.4985 (9) and 3.6630 (9) Å] are also observed. http://scripts.iucr.org/cgi-bin/paper?S1600536810033933 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Sayed Hasan Mehdi Rokiah Hashim Raza Murad Ghalib Jia Hao Goh Hoong-Kun Fun |
spellingShingle |
Sayed Hasan Mehdi Rokiah Hashim Raza Murad Ghalib Jia Hao Goh Hoong-Kun Fun 3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrate Acta Crystallographica Section E |
author_facet |
Sayed Hasan Mehdi Rokiah Hashim Raza Murad Ghalib Jia Hao Goh Hoong-Kun Fun |
author_sort |
Sayed Hasan Mehdi |
title |
3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrate |
title_short |
3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrate |
title_full |
3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrate |
title_fullStr |
3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrate |
title_full_unstemmed |
3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrate |
title_sort |
3-(2-amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrate |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2010-09-01 |
description |
The asymmetric unit of the title compound, C14H17N3O3·0.25H2O, comprises two independent organic molecules and a water molecule lying on a crystallographic twofold rotation axis with 50% site occupancy. In both independent molecules, the cyclohexene rings adopt envelope conformations but superposition of the two molecules shows that the flap atoms point in opposite directions. In the crystal, N—H...O and C—H...O hydrogen bonds interconnect adjacent molecules into a three-dimensional network. Weak intermolecular π–π aromatic stacking interactions [centroid–centroid distances = 3.4985 (9) and 3.6630 (9) Å] are also observed. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536810033933 |
work_keys_str_mv |
AT sayedhasanmehdi 32amino5nitroanilino55dimethylcyclohex2en1one025hydrate AT rokiahhashim 32amino5nitroanilino55dimethylcyclohex2en1one025hydrate AT razamuradghalib 32amino5nitroanilino55dimethylcyclohex2en1one025hydrate AT jiahaogoh 32amino5nitroanilino55dimethylcyclohex2en1one025hydrate AT hoongkunfun 32amino5nitroanilino55dimethylcyclohex2en1one025hydrate |
_version_ |
1725229068234784768 |