Information card for entry 2220196

Structure parameters

• Chemical name: Benzyl <i>N</i>'-(1-methyl-1<i>H</i>-indol-2-ylmethylene)hydrazinecarbodithioate
• Formula: C18 H17 N3 S2
• Calculated formula: C18 H17 N3 S2
• SMILES: S(Cc1ccccc1)C(=S)NN=Cc1n(C)c2ccccc2c1
• Title of publication: Benzyl <i>N</i>'-(1-methyl-1<i>H</i>-indol-2-ylmethylene)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: 12
• Pages of publication: o2430
• a: 5.1203 ± 0.0001 Å
• b: 11.9377 ± 0.0003 Å
• c: 14.1936 ± 0.0004 Å
• α: 108.203 ± 0.002°
• β: 90.23 ± 0.002°
• γ: 96.191 ± 0.002°
• Cell volume: 818.7 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes