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3-[(E)-(4-Chloro-benzyl-idene)amino]-1-phenyl-thio-urea.

ABSTRACT: In the title compound, C(14)H(12)ClN(3)S, the dihedral angle between the terminal benzene rings is 56.6?(2)°; the benzene rings lie to the same side of the mol-ecule. The major twist in the mol-ecule occurs around the C(ar)-N bond (ar is aromatic) [C-N-C-C = 49.9?(5)°]. The configuration about the N=C bond [1.271?(4)?Å] is E. The amine H atoms lie on opposite sides of the mol-ecule with one forming an intra-molecular N-H?N(imine) hydrogen bond and an S(5) ring. In the crystal, centrosymmetric dimers are formed via {?HNC=S}(2) synthons.

SUBMITTER: Dzulkifli NN

PROVIDER: S-EPMC3100056 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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3-[(E)-(4-Chloro-benzyl-idene)amino]-1-phenyl-thio-urea.

Dzulkifli Nur Nadia NN Farina Yang Y Yamin Bohari M BM Baba Ibrahim I Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110312 Pt 4

In the title compound, C(14)H(12)ClN(3)S, the dihedral angle between the terminal benzene rings is 56.6 (2)°; the benzene rings lie to the same side of the mol-ecule. The major twist in the mol-ecule occurs around the C(ar)-N bond (ar is aromatic) [C-N-C-C = 49.9 (5)°]. The configuration about the N=C bond [1.271 (4) Å] is E. The amine H atoms lie on opposite sides of the mol-ecule with one forming an intra-molecular N-H⋯N(imine) hydrogen bond and an S(5) ring. In the crystal, centrosymmetric di ...[more]

PMID: 21754150

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