Information card for entry 2230066

Structure parameters

• Chemical name: 6-Bromo-3-{2-[2-(diphenylmethylene)hydrazinyl]-1,3-thiazol-5-yl}- 2<i>H</i>-chromen-2-one chloroform monosolvate
• Formula: C26 H17 Br Cl3 N3 O2 S
• Calculated formula: C26 H17 Br Cl3 N3 O2 S
• SMILES: Brc1ccc2c(c1)cc(c(=O)o2)c1csc(n1)NN=C(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: 6-Bromo-3-{2-[2-(diphenylmethylene)hydrazinyl]-1,3-thiazol-5-yl}-2<i>H</i>-chromen-2-one chloroform monosolvate
• Authors of publication: Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1079 - o1080
• a: 8.0774 ± 0.0003 Å
• b: 12.6782 ± 0.0005 Å
• c: 14.4396 ± 0.0005 Å
• α: 114.157 ± 0.002°
• β: 92.879 ± 0.002°
• γ: 100.384 ± 0.002°
• Cell volume: 1314.4 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes