Acta Crystallographica Section E: Crystallographic Communications | |
Crystal structure of (Z)-2-(1-benzyl-2-oxoindolin-3-ylidene)-N-phenylhydrazine-1-carbothioamide | |
Kumar, B.V.N.P.1  Karvembu, R.2  Haribabu, J.2  Vimala, G.3  SubbiahPandi, A.3  | |
[1] Chemical Physics Laboratory, Central Leather Research Institute, Adyar, Chennai 600 020, India;Department of Chemistry, National Institute of Technology, Trichy 620 015, India;Department of Physics, Presidency College (Autonomous), Chennai 600 005, India | |
关键词: CRYSTAL STRUCTURE; THIOSEMICARBAZONES; HYDRAZINE; CARBOTHIOAMIDE; 2-OXOINDOLIN-3-YLIDENE; HYDROGEN BONDING; C-H...[PI] INTERACTIONS; | |
DOI : 10.1107/S2056989015002248 | |
学科分类:数学(综合) | |
来源: International Union of Crystallography | |
【 摘 要 】
The title compound, C22H18N4OS, crystallized with four independent molecules (A, B, C and D) in the asymmetric unit. All four molecules 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 molecules A, B, C and D, respectively. In molecules 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 molecules 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 molecules A and B [dihedral angles = 80.3 (3) and 87.1 (3)°, respectively], while in molecules C and D, the same dihedral angles are only 48.8 (2) and 43.8 (3)°, respectively. There is an intramolecular N—H⋯O hydrogen bond in each molecule with an S(6) ring motif. There are also short intramolecular N—H⋯N and C—H⋯S contacts in each molecule. In the crystal, molecules are linked via C—H⋯S hydrogen bonds and C—H⋯π interactions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a final BASF value of 0.110 (1).
【 授权许可】
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