Information card for entry 2228934

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>'-[4-(dimethylamino)benzylidene]-<i>N</i>-[4-(3-methyl-3- phenylcyclobutyl)-1,3-thiazol-2-yl]acetohydrazide
• Formula: C25 H27 Cl N4 O S
• Calculated formula: C25 H27 Cl N4 O S
• SMILES: ClCC(=O)N(/N=C/c1ccc(N(C)C)cc1)c1nc(C2CC(c3ccccc3)(C)C2)cs1
• Title of publication: 2-Chloro-<i>N</i>'-[4-(dimethylamino)benzylidene]-<i>N</i>-[4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazol-2-yl]acetohydrazide
• Authors of publication: Inkaya, Ersin; Dinçer, Muharrem; Çukurovalı, Alaaddin; Yılmaz, Engin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o131 - o132
• a: 9.0194 ± 0.0005 Å
• b: 26.7946 ± 0.0011 Å
• c: 13.1773 ± 0.0007 Å
• α: 90°
• β: 132.054 ± 0.003°
• γ: 90°
• Cell volume: 2364.6 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1561
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes