Information card for entry 2216452

Structure parameters

• Chemical name: N-[4-(3-Chlorobenzyloxy)phenyl]-4,5-dihydrothiazol-2-amine
• Formula: C16 H15 Cl N2 O S
• Calculated formula: C16 H15 Cl N2 O S
• SMILES: Clc1cc(ccc1)COc1ccc(NC2=NCCS2)cc1
• Title of publication: <i>N</i>-[4-(3-Chlorobenzyloxy)phenyl]-4,5-dihydrothiazol-2-amine
• Authors of publication: Jing Wu; Bao-lei Wang; Hai-Bin Song; Su-Hua Wang; Zheng-Ming Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4649 - o4649
• a: 12.134 ± 0.002 Å
• b: 16.931 ± 0.003 Å
• c: 7.8643 ± 0.0015 Å
• α: 90°
• β: 106.655 ± 0.003°
• γ: 90°
• Cell volume: 1547.9 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0778
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes