1,3-Dicyclo-hexyl-3-[(pyridin-2-yl)carbon-yl]urea monohydrate from synchrotron radiation.

ABSTRACT: 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 substanti-ally twisted out this plane [dihedral angles = 62.80 (12) and 34.98 (10)°, respectively]. Supra-molecular 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 mol-ecules (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.

SUBMITTER: Pinheiro AC 

PROVIDER: S-EPMC3201464 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature