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

Authors: Pinheiro, A.C.; De Souza, M.V.N.; Wardell, J.L.; Wardell, S.M.S.V.; Tiekink, E.R.T.


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.
Keywords: None Document Type: Research Article DOI: http://dx.doi.org/10.1107/S1600536811037512 Publication date: 1 de Janeiro de 2011

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