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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3201464 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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