Information card for entry 2015102

Structure parameters

• Chemical name: 4-Bromo-2-{[4-(3-mesityl-3-methylcyclobutyl)thiazol-2- yl]hydrazonomethyl}phenol
• Formula: C24 H26 Br N3 O S
• Calculated formula: C24 H26 Br N3 O S
• SMILES: Brc1cc(/C=N/Nc2scc(n2)C2CC(C2)(c2c(cc(cc2C)C)C)C)c(O)cc1
• Title of publication: 4-Bromo-2-{[4-(3-mesityl-3-methylcyclobutyl)thiazol-2-yl]hydrazonomethyl}phenol, with N—H···N, C—H···π and π‒π interactions
• Authors of publication: Mustafa Serkan Soylu; Nezihe Çalışkan; Alaaddin Çukurovali; Ibrahim Yılmaz; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o725 - o727
• a: 8.3589 ± 0.0005 Å
• b: 11.9903 ± 0.0007 Å
• c: 24.1438 ± 0.0014 Å
• α: 75.507 ± 0.005°
• β: 86.063 ± 0.005°
• γ: 77.418 ± 0.005°
• Cell volume: 2286.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0716
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes