Information card for entry 2231354

Structure parameters

• Chemical name: 4-(4-Chlorophenyl)-<i>N</i>-[(<i>E</i>)-4-(dimethylamino)benzylidene]- 1,3-thiazol-2-amine
• Formula: C18 H16 Cl N3 S
• Calculated formula: C18 H16 Cl N3 S
• SMILES: s1cc(nc1/N=C/c1ccc(N(C)C)cc1)c1ccc(Cl)cc1
• Title of publication: 4-(4-Chlorophenyl)-<i>N</i>-[(<i>E</i>)-4-(dimethylamino)benzylidene]-1,3-thiazol-2-amine
• Authors of publication: Vijaya, S.; Vasu; Gowda, K. V. Arjuna; Narasimhamurthy, T.; Rathore, R. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2115
• a: 6.1169 ± 0.0007 Å
• b: 7.4708 ± 0.0008 Å
• c: 18.2536 ± 0.0018 Å
• α: 90°
• β: 97.975 ± 0.011°
• γ: 90°
• Cell volume: 826.09 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1542
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 0.777
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes