Information card for entry 2204434

Structure parameters

• Chemical name: N-(1,3-Benzothiazol-2-yl)-4-(dimethylamino)benzylamine
• Formula: C16 H15 N3 S
• Calculated formula: C16 H15 N3 S
• SMILES: c12ccccc1sc(n2)/N=C/c1ccc(cc1)N(C)C
• Title of publication: <i>N</i>-(1,3-Benzothiazol-2-yl)-4-(dimethylamino)benzylamine
• Authors of publication: Hanife Saraçoĝlu; Orhan Büyükgüngör; Ceyda Davran; Serkan Soylu; Hümeyra Batı; Nezihe Çalıs̨kan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2090 - o2092
• a: 11.7771 ± 0.0008 Å
• b: 22.6876 ± 0.0012 Å
• c: 11.7725 ± 0.0009 Å
• α: 90°
• β: 116.822 ± 0.005°
• γ: 90°
• Cell volume: 2807.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes