Information card for entry 2228497

Structure parameters

• Chemical name: 1-Allyl-3-methyl-3',5'-diphenylspiro[quinoxaline- 2(1<i>H</i>),2'(3'<i>H</i>)-[1,3,4]thiadiazole]
• Formula: C25 H22 N4 S
• Calculated formula: C25 H22 N4 S
• SMILES: C=CCN1c2ccccc2N=C(C21SC(=NN2c1ccccc1)c1ccccc1)C
• Title of publication: 1-Allyl-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; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3227
• a: 7.9201 ± 0.0001 Å
• b: 10.0713 ± 0.0001 Å
• c: 13.6642 ± 0.0002 Å
• α: 78.296 ± 0.001°
• β: 81.277 ± 0.001°
• γ: 89.826 ± 0.001°
• Cell volume: 1054.5 ± 0.02 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: 0.0788
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes