Crystal structure of (Z)-2-(1-benzyl-2-oxoindolin-3-yl-idene)-N-phenyl-hydra-zine-1-carbo-thio-amide.

ABSTRACT: The title compound, C22H18N4OS, crystallized with four independent mol-ecules (A, B, C and D) in the asymmetric unit. All four mol-ecules have a Z conformation about the C=N bond with the benzyl ring being inclined to the indoline ring mean planes by 73.4?(2), 77.9?(2), 73.2?(2) and 77.2?(2)° in mol-ecules A, B, C and D, respectively. In mol-ecules A and B, the phenyl ring is inclined to the mean plane of the indoline ring mean plane by 12.0?(2) and 12.2?(2)°, respectively. However, in mol-ecules C and D, the same dihedral angles are larger, viz. 37.3?(2) and 36.4?(2)°, respectively. Consequently, the benzyl and phenyl rings are almost normal to one another in mol-ecules A and B [dihedral angles = 80.3?(3) and 87.1?(3)°, respectively], while in mol-ecules C and D, the same dihedral angles are only 48.8?(2) and 43.8?(3)°, respectively. There is an intra-molecular N-H?O hydrogen bond in each mol-ecule with an S(6) ring motif. There are also short intra-molecular N-H?N and C-H?S contacts in each mol-ecule. In the crystal, mol-ecules are linked via C-H?S hydrogen bonds and C-H?? inter-actions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a final BASF value of 0.110?(1).

SUBMITTER: Vimala G 

PROVIDER: S-EPMC4350691 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature