Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate

The title compound, C(12)H(18)N(2)·0.5H(2)O, crystallizes with two independent organic mol­ecules (A and B) in the asymmetric unit, together with a water mol­ecule of crystallization. The diazepine rings in each mol­ecule have a chair conformation. The dihedral angle between benzene ring and the mea...

Descripción completa

Detalles Bibliográficos
Autores principales: Ezhilarasi, K. S., Akila, A., Ponnuswamy, S., Revathi, B. K., Usha, G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571402/
https://www.ncbi.nlm.nih.gov/pubmed/26396802
http://dx.doi.org/10.1107/S2056989015013201
_version_ 1782390333896654848
author Ezhilarasi, K. S.
Akila, A.
Ponnuswamy, S.
Revathi, B. K.
Usha, G.
author_facet Ezhilarasi, K. S.
Akila, A.
Ponnuswamy, S.
Revathi, B. K.
Usha, G.
author_sort Ezhilarasi, K. S.
collection PubMed
description The title compound, C(12)H(18)N(2)·0.5H(2)O, crystallizes with two independent organic mol­ecules (A and B) in the asymmetric unit, together with a water mol­ecule of crystallization. The diazepine rings in each mol­ecule have a chair conformation. The dihedral angle between benzene ring and the mean plane of the diazepine ring is 21.15 (12)° in mol­ecule A and 17.42 (11)° in mol­ecule B. In the crystal, mol­ecules are linked by N—H⋯O and O—H⋯N hydrogen bonds, forming zigzag chains propagating along [001].
format Online
Article
Text
id pubmed-4571402
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-45714022015-09-22 Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate Ezhilarasi, K. S. Akila, A. Ponnuswamy, S. Revathi, B. K. Usha, G. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(12)H(18)N(2)·0.5H(2)O, crystallizes with two independent organic mol­ecules (A and B) in the asymmetric unit, together with a water mol­ecule of crystallization. The diazepine rings in each mol­ecule have a chair conformation. The dihedral angle between benzene ring and the mean plane of the diazepine ring is 21.15 (12)° in mol­ecule A and 17.42 (11)° in mol­ecule B. In the crystal, mol­ecules are linked by N—H⋯O and O—H⋯N hydrogen bonds, forming zigzag chains propagating along [001]. International Union of Crystallography 2015-07-15 /pmc/articles/PMC4571402/ /pubmed/26396802 http://dx.doi.org/10.1107/S2056989015013201 Text en © Ezhilarasi et al. 2015 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 Data Reports
Ezhilarasi, K. S.
Akila, A.
Ponnuswamy, S.
Revathi, B. K.
Usha, G.
Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate
title Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate
title_full Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate
title_fullStr Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate
title_full_unstemmed Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate
title_short Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate
title_sort crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1h-benzo[b][1,4]diazepine hemihydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571402/
https://www.ncbi.nlm.nih.gov/pubmed/26396802
http://dx.doi.org/10.1107/S2056989015013201
work_keys_str_mv AT ezhilarasiks crystalstructureof224trimethyl2345tetrahydro1hbenzob14diazepinehemihydrate
AT akilaa crystalstructureof224trimethyl2345tetrahydro1hbenzob14diazepinehemihydrate
AT ponnuswamys crystalstructureof224trimethyl2345tetrahydro1hbenzob14diazepinehemihydrate
AT revathibk crystalstructureof224trimethyl2345tetrahydro1hbenzob14diazepinehemihydrate
AT ushag crystalstructureof224trimethyl2345tetrahydro1hbenzob14diazepinehemihydrate

Ejemplares similares