Information card for entry 2012023

Structure parameters

• Formula: C22 H17 Cl2 N O3 S
• Calculated formula: C22 H17 Cl2 N O3 S
• Title of publication: (<i>Z</i>)-7-Chloro-3-[(3-chlorophenyl)methylidene]-4-<i>p</i>-tosyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazine
• Authors of publication: Chaudhuri, Gopeswar; Helliwell, Madeleine; Kundu, Nitya G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 740 - 741
• a: 10.899 ± 0.005 Å
• b: 12.211 ± 0.004 Å
• c: 7.775 ± 0.003 Å
• α: 102.23 ± 0.02°
• β: 92.21 ± 0.03°
• γ: 96.64 ± 0.03°
• Cell volume: 1002.4 ± 0.7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.0935
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No