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

Pinheiro, Alessandra C. ; Souza, Marcus V. N. de ; Wardell, James L. ; Wardell, Solange M. S. V. ; Tiekink, Edward R. T.

Acta crystallographica. Section E, Structure reports online, 2011-10, Vol.67 (10), p.o2676-o2677 [Peer Reviewed Journal]

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Title:
1,3-Dicyclohexyl-3-[(pyridin-2-yl)carbonyl]urea monohydrate from synchrotron radiation
Author: Pinheiro, Alessandra C. ; Souza, Marcus V. N. de ; Wardell, James L. ; Wardell, Solange M. S. V. ; Tiekink, Edward R. T.
Is Part Of: Acta crystallographica. Section E, Structure reports online, 2011-10, Vol.67 (10), p.o2676-o2677
Description: The title urea derivative crystallizes as a monohydrate, C19H27N3O2·H2O. The central C3N 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.
Publisher: International Union of Crystallography
Language: English

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