Information card for entry 2220011

Structure parameters

• Chemical name: Benzyl <i>N</i>'-(1<i>H</i>-indol-3-ylmethylidene)hydrazinecarbodithioate
• Formula: C17 H15 N3 S2
• Calculated formula: C17 H15 N3 S2
• SMILES: S(Cc1ccccc1)C(=S)N/N=C/c1c[nH]c2c1cccc2
• Title of publication: Benzyl <i>N</i>'-(1<i>H</i>-indol-3-ylmethylidene)hydrazinecarbodithioate
• Authors of publication: Khaledi, Hamid; Mohd Ali, Hapipah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2107
• a: 15.4936 ± 0.0007 Å
• b: 9.8114 ± 0.0004 Å
• c: 10.2531 ± 0.0004 Å
• α: 90°
• β: 98.432 ± 0.003°
• γ: 90°
• Cell volume: 1541.77 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes