Information card for entry 2240533

Structure parameters

• Chemical name: (2-Methyl-4-phenyl-4<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyrimidin-3-yl)(phenyl)methanone
• Formula: C24 H18 N2 O S
• Calculated formula: C24 H18 N2 O S
• SMILES: S1C2N(c3ccccc13)C(c1ccccc1)C(=C(N=2)C)C(=O)c1ccccc1
• Title of publication: Crystal structure of (2-methyl-4-phenyl-4<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyrimidin-3-yl)(phenyl)methanone
• Authors of publication: Sankar, T.; Naveen, S.; Lokanath, N. K.; Gunasekaran, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o276 - o277
• a: 12.1894 ± 0.0006 Å
• b: 18.6119 ± 0.0008 Å
• c: 8.937 ± 0.0004 Å
• α: 90°
• β: 110.36 ± 0.001°
• γ: 90°
• Cell volume: 1900.85 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes