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1,3-Dicyclo­hexyl-3-[(pyridin-2-yl)carbon­yl]urea monohydrate from synchrotron radiation

The title urea derivative crystallizes as a monohydrate, C(19)H(27)N(3)O(2)·H(2)O. The central C(3)N grouping is almost planar (r.m.s. deviation = 0.0092 Å), and the amide and pyridine groups are substanti­ally twisted out this plane [dihedral angles = 62.80 (12) and 34.98 (10)°, respectively]. Supr...

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Autores principales: Pinheiro, Alessandra C., de Souza, Marcus V. N., Wardell, James L., Wardell, Solange M. S. V., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201464/
https://www.ncbi.nlm.nih.gov/pubmed/22058785
http://dx.doi.org/10.1107/S1600536811037512
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author Pinheiro, Alessandra C.
de Souza, Marcus V. N.
Wardell, James L.
Wardell, Solange M. S. V.
Tiekink, Edward R. T.
author_facet Pinheiro, Alessandra C.
de Souza, Marcus V. N.
Wardell, James L.
Wardell, Solange M. S. V.
Tiekink, Edward R. T.
author_sort Pinheiro, Alessandra C.
collection PubMed
description The title urea derivative crystallizes as a monohydrate, C(19)H(27)N(3)O(2)·H(2)O. The central C(3)N grouping is almost planar (r.m.s. deviation = 0.0092 Å), and the amide and pyridine groups are substanti­ally twisted out this plane [dihedral angles = 62.80 (12) and 34.98 (10)°, respectively]. Supra­molecular double chains propagating along the b-axis direction feature in the crystal packing whereby linear chains sustained by N—H⋯O hydrogen bonds formed between the amide groups are linked by helical chains of water mol­ecules (linked by O—H⋯O hydrogen bonds). The H atom that participates in these water chains is disordered over two positions of equal occupancy. The double chains are connected into a two-dimensional array by C—H⋯O contacts and the layers stack along the a axis.
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spelling pubmed-32014642011-11-06 1,3-Dicyclo­hexyl-3-[(pyridin-2-yl)carbon­yl]urea monohydrate from synchrotron radiation Pinheiro, Alessandra C. de Souza, Marcus V. N. Wardell, James L. Wardell, Solange M. S. V. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title urea derivative crystallizes as a monohydrate, C(19)H(27)N(3)O(2)·H(2)O. The central C(3)N grouping is almost planar (r.m.s. deviation = 0.0092 Å), and the amide and pyridine groups are substanti­ally twisted out this plane [dihedral angles = 62.80 (12) and 34.98 (10)°, respectively]. Supra­molecular double chains propagating along the b-axis direction feature in the crystal packing whereby linear chains sustained by N—H⋯O hydrogen bonds formed between the amide groups are linked by helical chains of water mol­ecules (linked by O—H⋯O hydrogen bonds). The H atom that participates in these water chains is disordered over two positions of equal occupancy. The double chains are connected into a two-dimensional array by C—H⋯O contacts and the layers stack along the a axis. International Union of Crystallography 2011-09-17 /pmc/articles/PMC3201464/ /pubmed/22058785 http://dx.doi.org/10.1107/S1600536811037512 Text en © Pinheiro et al. 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
Pinheiro, Alessandra C.
de Souza, Marcus V. N.
Wardell, James L.
Wardell, Solange M. S. V.
Tiekink, Edward R. T.
1,3-Dicyclo­hexyl-3-[(pyridin-2-yl)carbon­yl]urea monohydrate from synchrotron radiation
title 1,3-Dicyclo­hexyl-3-[(pyridin-2-yl)carbon­yl]urea monohydrate from synchrotron radiation
title_full 1,3-Dicyclo­hexyl-3-[(pyridin-2-yl)carbon­yl]urea monohydrate from synchrotron radiation
title_fullStr 1,3-Dicyclo­hexyl-3-[(pyridin-2-yl)carbon­yl]urea monohydrate from synchrotron radiation
title_full_unstemmed 1,3-Dicyclo­hexyl-3-[(pyridin-2-yl)carbon­yl]urea monohydrate from synchrotron radiation
title_short 1,3-Dicyclo­hexyl-3-[(pyridin-2-yl)carbon­yl]urea monohydrate from synchrotron radiation
title_sort 1,3-dicyclo­hexyl-3-[(pyridin-2-yl)carbon­yl]urea monohydrate from synchrotron radiation
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201464/
https://www.ncbi.nlm.nih.gov/pubmed/22058785
http://dx.doi.org/10.1107/S1600536811037512
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