Information card for entry 2213535

Structure parameters

• Chemical name: N-(4-Methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)benzamide
• Formula: C18 H16 N2 O S
• Calculated formula: C18 H16 N2 O S
• SMILES: S1C(N(C(=C1)C)c1ccccc1)=NC(=O)c1ccc(cc1)C
• Title of publication: <i>N</i>-(4-Methyl-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene)benzamide
• Authors of publication: Saeed, Aamer; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2455 - o2456
• a: 18.8437 ± 0.0014 Å
• b: 18.8437 ± 0.0014 Å
• c: 23.561 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7245.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1141
• 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: No
• Has Fobs: Yes