Information card for entry 2220198

Structure parameters

• Chemical name: Benzyl <i>N</i>'-(4,6-dimethoxy-2-methyl-3-phenyl-1<i>H</i>- indol-7-ylmethylene)hydrazinecarbodithioate
• Formula: C26 H25 N3 O2 S2
• Calculated formula: C26 H25 N3 O2 S2
• SMILES: S(Cc1ccccc1)C(=S)N/N=C/c1c(OC)cc(OC)c2c1[nH]c(C)c2c1ccccc1
• Title of publication: Benzyl <i>N</i>'-(4,6-dimethoxy-2-methyl-3-phenyl-1<i>H</i>-indol-7-ylmethylene)hydrazinecarbodithioate
• Authors of publication: Khaldei, 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: o2442
• a: 10.0913 ± 0.0002 Å
• b: 12.8541 ± 0.0003 Å
• c: 18.9232 ± 0.0004 Å
• α: 90.461 ± 0.001°
• β: 103.96 ± 0.001°
• γ: 93.944 ± 0.001°
• Cell volume: 2375.71 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes