Information card for entry 2234253

Structure parameters

• Common name: (<i>E</i>)-{[(Benzylsulfanyl)methanethioyl](methyl)amino}(thiophen-2- ylmethylidene)amine
• Chemical name: Benzyl 2-methyl-3-[(<i>E</i>)-(thiophen-2-yl)methylidene]dithiocarbazate
• Formula: C14 H14 N2 S3
• Calculated formula: C14 H14 N2 S3
• SMILES: s1cccc1/C=N/N(C)C(=S)SCc1ccccc1
• Title of publication: Benzyl 2-methyl-3-[(<i>E</i>)-(thiophen-2-yl)methylidene]dithiocarbazate
• Authors of publication: Hazari, Saroj K. S.; Dey, B. K.; Roy, Tapashi G.; Ganguly, B.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1216
• a: 6.0585 ± 0.0001 Å
• b: 19.3774 ± 0.0005 Å
• c: 12.5769 ± 0.0003 Å
• α: 90°
• β: 103.2 ± 0.002°
• γ: 90°
• Cell volume: 1437.49 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes