Information card for entry 2009120

Structure parameters

• Formula: C17 H10 Cl N3 O S
• Calculated formula: C17 H10 Cl N3 O S
• SMILES: Clc1ccccc1c1nn2c(n1)s/c(=C\c1ccccc1)c2=O
• Title of publication: 6-Benzylidene-2-(2-chlorophenyl)thiazolo[3,2-<i>b</i>]-1,2,4-triazol-5(6<i>H</i>)-one
• Authors of publication: Özbey, Süheyla; Kendi, Engin; Tozkoparan, Birsen; Ertan, Mevlüt
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1939 - 1941
• a: 10.741 ± 0.001 Å
• b: 12.387 ± 0.001 Å
• c: 12.196 ± 0.002 Å
• α: 90°
• β: 112.61 ± 0.01°
• γ: 90°
• Cell volume: 1497.9 ± 0.3 ų
• Cell temperature: 295 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 significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No