Information card for entry 2015688

Structure parameters

• Chemical name: (2Z)-2-benzylidene-N,7-dimethyl-3-oxo-5-phenyl- 5H-1,3-thiazolo[3,2-a]pyrimidine-6(3H)-carboxamide
• Formula: C22 H19 N3 O2 S
• Calculated formula: C22 H19 N3 O2 S
• SMILES: C\1(=C\c2ccccc2)C(=O)N2C(C(=C(C)N=C2S1)C(=O)NC)c1ccccc1
• Title of publication: Dimorphism in (2<i>Z</i>)-2-benzylidene-<i>N</i>,7-dimethyl-3-oxo-5-phenyl-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxamide
• Authors of publication: B. Sridhar; K. Ravikumar; Y. S. Sadanandam
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o687 - o690
• a: 9.5353 ± 0.0006 Å
• b: 10.2071 ± 0.0006 Å
• c: 20.7901 ± 0.0012 Å
• α: 79.198 ± 0.001°
• β: 79.645 ± 0.001°
• γ: 78.257 ± 0.001°
• Cell volume: 1924.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes