Information card for entry 2239565

Structure parameters

• Chemical name: (2<i>E</i>)-4-(4-Bromophenyl)-2-{2-[(1<i>E</i>)-cyclopentylidene]hydrazin-1-ylidene}-3-phenyl-2,3-dihydro-1,3-thiazole
• Formula: C20 H18 Br N3 S
• Calculated formula: C20 H18 Br1.0002 N3 S
• SMILES: Brc1ccc(cc1)c1cs/c(=N\N=C2CCCC2)n1c1ccccc1
• Title of publication: (2<i>E</i>)-4-(4-Bromophenyl)-2-{2-[(1<i>E</i>)-cyclopentylidene]hydrazin-1-ylidene}-3-phenyl-2,3-dihydro-1,3-thiazole
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o669
• a: 12.5079 ± 0.0003 Å
• b: 5.5728 ± 0.0001 Å
• c: 25.3761 ± 0.0006 Å
• α: 90°
• β: 96.848 ± 0.0011°
• γ: 90°
• Cell volume: 1756.2 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes