Information card for entry 2240835

Structure parameters

• Common name: 4-Methylbenzyl <i>N</i>'-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate
• Chemical name: [({[(4-Methylphenyl)methyl]sulfanyl}methanethioyl)amino][1-(thiophen-2-yl)ethylidene]amine
• Formula: C15 H16 N2 S3
• Calculated formula: C15 H16 N2 S3
• SMILES: S(C(=S)N/N=C(C)/c1sccc1)Cc1ccc(C)cc1
• Title of publication: Crystal structure of 4-methylbenzyl <i>N</i>'-[(thiophen-2-yl)methylidene]hydrazinecarbodithioate
• Authors of publication: binti Ramli, Syahirah; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o475 - o476
• a: 5.6956 ± 0.0004 Å
• b: 14.3424 ± 0.0009 Å
• c: 18.9255 ± 0.0011 Å
• α: 90°
• β: 90.263 ± 0.005°
• γ: 90°
• Cell volume: 1545.98 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54182 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes