title: 2-[2-Chloro-5-(trifluoro-methyl)-phen-yl]hexa-hydro-pyrimidine monohydrate.
abstract: The mol-ecule of the title compound, C(11)H(12)ClF(3)N(2)·H(2)O, is a substituted hexa-hydro-pyrimidine. There are two crystallographically independent mol-ecules (A and B) and two water mol-ecules in the asymmetric unit of the title compound. Inter-molecular C-H⋯Cl (× 2), C-H⋯F, and C-H⋯N (× 2) hydrogen bonds generate S(5) ring motifs. The dihedral angle between the two benzene rings is 8.17 (11)°. The F atoms in mol-ecule B are disordered over four positions with refined site-occupancies of ca 0.35/0.19/0.29/0.17 for the four components. In the crystal structure, mol-ecules are arranged into one-dimensional extended chains along the c axis and are further stacked along the a axis by directed four-membered O-H⋯O-H inter-actions, forming two-dimensional networks parallel to the ac plane. The short distances between the centroids of the benzene rings (3.8002-3.8327 Å) indicate the existence of π-π inter-actions. In addition, the crystal structure is further stabilized by N-H⋯O, O-H⋯N (× 4), N-H⋯Cl and C-H⋯O (× 2) hydrogen-bonding inter-actions.
authors.affiliation: X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
authors.forename: Hoong-Kun
authors.initials: HK
authors.lastname: Fun
authors.forename: Reza
authors.initials: R
authors.lastname: Kia