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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 |
Sumario: | 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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