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Benzyl 3-[(E)-(furan-2-yl)methyl-idene]-2-methyldithio-carbazate.


ABSTRACT: In the title compound, C(14)H(14)N(2)OS(2), the furan ring exhibits rotational disorder over two orientations, with an occupancy ratio of 0.508 (7):0.492 (7). The furan and phenyl rings form dihedral angles of 8.2 (6) (major occupancy component), 14.8 (6) (minor occupancy component) and 73.65 (9)°, respectively, with the central residue (C(4)N(2)S(2)), indicating a twisted conformation for the mol-ecule. The methyl group and the thione S atom are syn and the conformation about the imine bond is E. In the crystal, C-H⋯π inter-actions involving the phenyl ring are observed.

SUBMITTER: Dey BK 

PROVIDER: S-EPMC3435764 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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Benzyl 3-[(E)-(furan-2-yl)methyl-idene]-2-methyldithio-carbazate.

Dey Benu K BK   Suarez Sebastian S   Ganguly Biplab B   Doctorovich Fabio F   Roy Tapashi G TG  

Acta crystallographica. Section E, Structure reports online 20120823 Pt 9


In the title compound, C(14)H(14)N(2)OS(2), the furan ring exhibits rotational disorder over two orientations, with an occupancy ratio of 0.508 (7):0.492 (7). The furan and phenyl rings form dihedral angles of 8.2 (6) (major occupancy component), 14.8 (6) (minor occupancy component) and 73.65 (9)°, respectively, with the central residue (C(4)N(2)S(2)), indicating a twisted conformation for the mol-ecule. The methyl group and the thione S atom are syn and the conformation about the imine bond is  ...[more]

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