Information card for entry 2233191

Structure parameters

• Common name: 1-Benzyl-3-methyl-3',5'-diphenylspiro[quinoxaline-2(1<i>H</i>),2'(3'<i>H</i>)- 1,3,4-thiadiazole]
• Chemical name: 1-benzyl-3-methyl-3',5'-diphenyl-1<i>H</i>,3'<i>H</i>-spiro[quinoxaline-2,2'- [1,3,4]thiadiazole]
• Formula: C29 H24 N4 S
• Calculated formula: C29 H24 N4 S
• SMILES: CC1=Nc2ccccc2N(C21SC(=NN2c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: 1-Benzyl-3-methyl-3',5'-diphenylspiro[quinoxaline-2(1<i>H</i>),2'(3'<i>H</i>)-1,3,4-thiadiazole]
• Authors of publication: Anothane, Caleb Ahoya; Bouhfid, Rachid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o103
• a: 13.5441 ± 0.0002 Å
• b: 14.8971 ± 0.0002 Å
• c: 15.0149 ± 0.0002 Å
• α: 66.431 ± 0.001°
• β: 63.921 ± 0.001°
• γ: 65.275 ± 0.001°
• Cell volume: 2383.45 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes