{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 9)"],"submitter":["Shan S"],"pubmed_abstract":["The title compound, C(16)H(16)N(2)S(2), was obtained from the condensation reaction of benzyl dithio-carbazate and 2-methyl-benzaldehyde. The asymmetric unit contains two independent mol-ecules. In both mol-ecules, the methyl-phenyl ring and the dithio-carbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. In each mol-ecule, the dithio-carbazate fragment is approximately planar, the r.m.s deviations being 0.018 and 0.025 Å. The mean plane of dithio-carbazate group is oriented at dihedral angles of 7.9 (3) and 68.24 (12)°, respectively, to the methyl-phenyl and phenyl rings in one mol-ecule, while the corresponding angles in the other mol-ecule are 10.9 (3) and 69.76 (16)°. Inter-molecular N-H⋯S hydrogen bonding occurs in the crystal structure to generate inversion dimers for both molecules."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2497"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3200894"],"repository":["biostudies-literature"],"pubmed_title":["Benzyl (E)-3-(2-methyl-benzyl-idene)dithio-carbazate."],"pmcid":["PMC3200894"],"pubmed_authors":["Guo HQ","Huang YL","Li DF","Shan S","Wang Z"],"additional_accession":[]},"is_claimable":false,"name":"Benzyl (E)-3-(2-methyl-benzyl-idene)dithio-carbazate.","description":"The title compound, C(16)H(16)N(2)S(2), was obtained from the condensation reaction of benzyl dithio-carbazate and 2-methyl-benzaldehyde. The asymmetric unit contains two independent mol-ecules. In both mol-ecules, the methyl-phenyl ring and the dithio-carbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. In each mol-ecule, the dithio-carbazate fragment is approximately planar, the r.m.s deviations being 0.018 and 0.025 Å. The mean plane of dithio-carbazate group is oriented at dihedral angles of 7.9 (3) and 68.24 (12)°, respectively, to the methyl-phenyl and phenyl rings in one mol-ecule, while the corresponding angles in the other mol-ecule are 10.9 (3) and 69.76 (16)°. Inter-molecular N-H⋯S hydrogen bonding occurs in the crystal structure to generate inversion dimers for both molecules.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Sep","modification":"2025-04-04T08:06:34.262Z","creation":"2019-03-27T00:01:07Z"},"accession":"S-EPMC3200894","cross_references":{"pubmed":["22059047"],"doi":["10.1107/S1600536811033113"]}}