Information card for entry 2229846

Structure parameters

• Chemical name: (<i>E</i>)-6-Bromo-3-{2-[2-(2-chlorobenzylidene)hydrazinyl]thiazol-5-yl}- 2<i>H</i>-chromen-2-one dimethyl sulfoxide monosolvate
• Formula: C21 H17 Br Cl N3 O3 S2
• Calculated formula: C21 H17 Br Cl N3 O3 S2
• SMILES: Brc1cc2cc(c(=O)oc2cc1)c1nc(sc1)NN=Cc1ccccc1Cl.S(=O)(C)C
• Title of publication: (<i>E</i>)-6-Bromo-3-{2-[2-(2-chlorobenzylidene)hydrazinyl]thiazol-5-yl}-2<i>H</i>-chromen-2-one dimethyl sulfoxide 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: 4
• Pages of publication: o1009 - o1010
• a: 6.5806 ± 0.0004 Å
• b: 15.7789 ± 0.0009 Å
• c: 20.9378 ± 0.0013 Å
• α: 90°
• β: 90.684 ± 0.002°
• γ: 90°
• Cell volume: 2173.9 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes