Information card for entry 2209659

Structure parameters

• Chemical name: 3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one
• Formula: C19 H13 Br N2 O2 S
• Calculated formula: C19 H13 Br N2 O2 S
• SMILES: Brc1ccc2oc(=O)c(cc2c1)c1nc(sc1)Nc1c(C)cccc1
• Title of publication: 3-(2-Anilino-1,3-thiazol-4-yl)-2<i>H</i>-chromen-2-one
• Authors of publication: Deepak Chopra; K. N. Venugopala; B. S. Jayashree; T. N. Guru Row
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2663 - o2665
• a: 10.94 ± 0.007 Å
• b: 12.172 ± 0.008 Å
• c: 15.039 ± 0.01 Å
• α: 93.025 ± 0.01°
• β: 108.484 ± 0.01°
• γ: 112.653 ± 0.009°
• Cell volume: 1717 ± 2 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes