(1R,2S)-Methyl 1-(4-chloro­phen­yl)-3-oxo-1,2,3,4-tetra­hydro­cyclo­penta­[b]indole-2-carboxyl­ate 0.2-hydrate

The title compound, C(19)H(14)ClNO(3)·0.2H(2)O, crystallizes with five mol­ecules and a disordered water mol­ecule in the asymmetric unit. Four of the five mol­ecules form hydrogen-bonded dimers via N—H⋯O hydrogen bonds towards another symmetry-independent mol­ecule, whereas the fifth mol­ecule form...

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Detalles Bibliográficos
Autores principales: Raja, Sadiya, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247393/
https://www.ncbi.nlm.nih.gov/pubmed/22220011
http://dx.doi.org/10.1107/S1600536811042358
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author Raja, Sadiya
Bolte, Michael
author_facet Raja, Sadiya
Bolte, Michael
author_sort Raja, Sadiya
collection PubMed
description The title compound, C(19)H(14)ClNO(3)·0.2H(2)O, crystallizes with five mol­ecules and a disordered water mol­ecule in the asymmetric unit. Four of the five mol­ecules form hydrogen-bonded dimers via N—H⋯O hydrogen bonds towards another symmetry-independent mol­ecule, whereas the fifth mol­ecule forms a hydrogen-bonded dimer with its symmetry equivalent, also via N—H⋯O hydrogen bonds. The dihedral angle between the planes of the fused benzene ring and the five-membered ring to which it is attached is 79.45 (13), 49.00 (15), 72.49 (16), 81.91 (18) and 76.38 (16)° for the five mol­ecules in the asymmetric unit.
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spelling pubmed-32473932012-01-04 (1R,2S)-Methyl 1-(4-chloro­phen­yl)-3-oxo-1,2,3,4-tetra­hydro­cyclo­penta­[b]indole-2-carboxyl­ate 0.2-hydrate Raja, Sadiya Bolte, Michael Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(19)H(14)ClNO(3)·0.2H(2)O, crystallizes with five mol­ecules and a disordered water mol­ecule in the asymmetric unit. Four of the five mol­ecules form hydrogen-bonded dimers via N—H⋯O hydrogen bonds towards another symmetry-independent mol­ecule, whereas the fifth mol­ecule forms a hydrogen-bonded dimer with its symmetry equivalent, also via N—H⋯O hydrogen bonds. The dihedral angle between the planes of the fused benzene ring and the five-membered ring to which it is attached is 79.45 (13), 49.00 (15), 72.49 (16), 81.91 (18) and 76.38 (16)° for the five mol­ecules in the asymmetric unit. International Union of Crystallography 2011-10-22 /pmc/articles/PMC3247393/ /pubmed/22220011 http://dx.doi.org/10.1107/S1600536811042358 Text en © Raja and Bolte 2011 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
Raja, Sadiya
Bolte, Michael
(1R,2S)-Methyl 1-(4-chloro­phen­yl)-3-oxo-1,2,3,4-tetra­hydro­cyclo­penta­[b]indole-2-carboxyl­ate 0.2-hydrate
title (1R,2S)-Methyl 1-(4-chloro­phen­yl)-3-oxo-1,2,3,4-tetra­hydro­cyclo­penta­[b]indole-2-carboxyl­ate 0.2-hydrate
title_full (1R,2S)-Methyl 1-(4-chloro­phen­yl)-3-oxo-1,2,3,4-tetra­hydro­cyclo­penta­[b]indole-2-carboxyl­ate 0.2-hydrate
title_fullStr (1R,2S)-Methyl 1-(4-chloro­phen­yl)-3-oxo-1,2,3,4-tetra­hydro­cyclo­penta­[b]indole-2-carboxyl­ate 0.2-hydrate
title_full_unstemmed (1R,2S)-Methyl 1-(4-chloro­phen­yl)-3-oxo-1,2,3,4-tetra­hydro­cyclo­penta­[b]indole-2-carboxyl­ate 0.2-hydrate
title_short (1R,2S)-Methyl 1-(4-chloro­phen­yl)-3-oxo-1,2,3,4-tetra­hydro­cyclo­penta­[b]indole-2-carboxyl­ate 0.2-hydrate
title_sort (1r,2s)-methyl 1-(4-chloro­phen­yl)-3-oxo-1,2,3,4-tetra­hydro­cyclo­penta­[b]indole-2-carboxyl­ate 0.2-hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247393/
https://www.ncbi.nlm.nih.gov/pubmed/22220011
http://dx.doi.org/10.1107/S1600536811042358
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AT boltemichael 1r2smethyl14chlorophenyl3oxo1234tetrahydrocyclopentabindole2carboxylate02hydrate

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