4-(5-Chloro-2-methyl-phen-yl)-1-[2-oxo-5-(trifluoro-meth-oxy)indolin-3-yl-idene]thio-semicarbazide.

ABSTRACT: The asymmetric unit of the title compound, C(17)H(12)ClF(3)N(4)O(2)S, contains two mol-ecules, which differ in their planarity and hydrogen bonding. In one mol-ecule, the 2-oxoindolin (C(8)/N/O A), thio-semicarbazide (N(3)/C/S B) and 5-chloro-2-methyl-phenyl (C(7)/Cl C) units are planar with r.m.s. deviations of 0.0110, 0.0173 and 0.0259?Å, respectively. The dihedral angles A/B, B/C and A/C are 1.74?(15), 40.70?(13) and 41.00?(11)°, respectively. In the other mol-ecule the deviations are 0.0455, 0.0007 and 0.0143?Å, respectively, and the dihedral angles are 5.01?(14), 4.53?(16) and 3.38?(13)°, respectively. In both mol-ecules, intra-molecular N-H?N and N-H?O hydrogen bonds form S(5) and S(6) ring motifs, respectively and C-H?S interactions occur. In one of the molecules, an intramolecular C-H?F interaction is also present. In the crystal, the mol-ecules are linked by N-H?O, C-H?F, C-H?O and N-H?S hydrogen bonding, forming a polymeric network.

SUBMITTER: Pervez H 

PROVIDER: S-EPMC2979057 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature