3-(2-Amino-5-nitroanilino)-5,5-dimethylcyclohex-2-en-1-one 0.25-hydrate

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...

Full description

Bibliographic Details
Main Authors: Sayed Hasan Mehdi, Rokiah Hashim, Raza Murad Ghalib, Jia Hao Goh, Hoong-Kun Fun
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

Similar Items