Acta Crystallographica Section E

Volume 67, Part 10 (October 2011)


organic compounds



hb6408 scheme

Acta Cryst. (2011). E67, o2676-o2677    [ doi:10.1107/S1600536811037512 ]

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

A. C. Pinheiro, M. V. N. de Souza, J. L. Wardell, S. M. S. V. Wardell and E. R. T. Tiekink

Abstract: 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.


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