Information card for entry 2235456

Structure parameters

• Chemical name: (<i>Z</i>)-3-(4-Bromophenyl)-2-[(2-phenylcyclohex-2-en-1-yl)imino]-1,3- thiazolidin-4-one
• Formula: C21 H19 Br N2 O S
• Calculated formula: C21 H19 Br N2 O S
• SMILES: Brc1ccc(N2/C(SCC2=O)=N/C2C(=CCCC2)c2ccccc2)cc1
• Title of publication: (<i>Z</i>)-3-(4-Bromophenyl)-2-[(2-phenylcyclohex-2-en-1-yl)imino]-1,3-thiazolidin-4-one
• Authors of publication: Ooi, Chin Wei; Fun, Hoong-Kun; Quah, Ching Kheng; Sathishkumar, Murugan; Ponnuswamy, Alagusundaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o1994
• a: 9.4573 ± 0.0001 Å
• b: 16.6662 ± 0.0003 Å
• c: 13.8812 ± 0.0002 Å
• α: 90°
• β: 122.665 ± 0.001°
• γ: 90°
• Cell volume: 1841.88 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes