5-Dichloro­acetyl-4-methyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one hemihydrate

There are two crystallographically independent organic mol­ecules in the asymmetric unit of the title compound, C(12)H(12)Cl(2)N(2)O(2)·0.5H(2)O. The benzodiazepine ring adopts a distorted boat conformation in both molecules. The crystal packing is controlled by N—H⋯O, C—H⋯O and O—H⋯O intra- and int...

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Autores principales: Ravichandran, K., Sakthivel, P., Ponnuswamy, S., Shalini, M., Ponnuswamy, M. N.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970202/
https://www.ncbi.nlm.nih.gov/pubmed/21577993
http://dx.doi.org/10.1107/S1600536809036940
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author Ravichandran, K.
Sakthivel, P.
Ponnuswamy, S.
Shalini, M.
Ponnuswamy, M. N.
author_facet Ravichandran, K.
Sakthivel, P.
Ponnuswamy, S.
Shalini, M.
Ponnuswamy, M. N.
author_sort Ravichandran, K.
collection PubMed
description There are two crystallographically independent organic mol­ecules in the asymmetric unit of the title compound, C(12)H(12)Cl(2)N(2)O(2)·0.5H(2)O. The benzodiazepine ring adopts a distorted boat conformation in both molecules. The crystal packing is controlled by N—H⋯O, C—H⋯O and O—H⋯O intra- and inter­molecular hydrogen bonds. A graph-set motif of R (3) (3)(14) dimer formation by a combination of N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds stabilizes the mol­ecules and extends along a axis.
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spelling pubmed-29702022010-12-30 5-Dichloro­acetyl-4-methyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one hemihydrate Ravichandran, K. Sakthivel, P. Ponnuswamy, S. Shalini, M. Ponnuswamy, M. N. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two crystallographically independent organic mol­ecules in the asymmetric unit of the title compound, C(12)H(12)Cl(2)N(2)O(2)·0.5H(2)O. The benzodiazepine ring adopts a distorted boat conformation in both molecules. The crystal packing is controlled by N—H⋯O, C—H⋯O and O—H⋯O intra- and inter­molecular hydrogen bonds. A graph-set motif of R (3) (3)(14) dimer formation by a combination of N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds stabilizes the mol­ecules and extends along a axis. International Union of Crystallography 2009-09-26 /pmc/articles/PMC2970202/ /pubmed/21577993 http://dx.doi.org/10.1107/S1600536809036940 Text en © Ravichandran et al. 2009 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
Ravichandran, K.
Sakthivel, P.
Ponnuswamy, S.
Shalini, M.
Ponnuswamy, M. N.
5-Dichloro­acetyl-4-methyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one hemihydrate
title 5-Dichloro­acetyl-4-methyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one hemihydrate
title_full 5-Dichloro­acetyl-4-methyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one hemihydrate
title_fullStr 5-Dichloro­acetyl-4-methyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one hemihydrate
title_full_unstemmed 5-Dichloro­acetyl-4-methyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one hemihydrate
title_short 5-Dichloro­acetyl-4-methyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one hemihydrate
title_sort 5-dichloro­acetyl-4-methyl-2,3,4,5-tetra­hydro-1h-1,5-benzodiazepin-2-one hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970202/
https://www.ncbi.nlm.nih.gov/pubmed/21577993
http://dx.doi.org/10.1107/S1600536809036940
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AT ponnuswamys 5dichloroacetyl4methyl2345tetrahydro1h15benzodiazepin2onehemihydrate
AT shalinim 5dichloroacetyl4methyl2345tetrahydro1h15benzodiazepin2onehemihydrate
AT ponnuswamymn 5dichloroacetyl4methyl2345tetrahydro1h15benzodiazepin2onehemihydrate

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