1-(2-Chloro-5-nitro-phen-yl)-3-(2,2-di-methyl-propion-yl)thio-urea.

ABSTRACT: With the exception of the C atoms of two of the methyl groups of the tert-butyl substituent, all of the non-H atoms of the title compound, C(12)H(14)ClN(3)O(3)S, lie on a mirror plane. The 2-chloro-5-nitro-phenyl and 2,2-dimethyl-propionyl substituents are, respectively, cis and trans relative to the thio-carbonyl S atom across the two C-N bonds. Intra-molecular N-H?O and C-H?S hydrogen bonds form S(6) ring motifs, also in the mirror plane. Despite the presence of two N-H subsituents, no inter-molecular hydrogen bonds are observed in the crystal structure. Weak ?-? contacts [centroid-centroid distances of 4.2903?(17)?Å] involving adjacent aromatic rings link the mol-ecules in a head-to-tail fashion above and below the mol-ecular plane.

SUBMITTER: Saeed A 

PROVIDER: S-EPMC2977335 | biostudies-other | 2009

REPOSITORIES: biostudies-other