Information card for entry 2016910

Structure parameters

• Chemical name: 3N-benzyl-2-(3-hydroxy-2-pyridylimino)-4-methyl-2,3(2H)-thiazole
• Formula: C16 H15 N3 O S
• Calculated formula: C16 H15 N3 O S
• SMILES: Oc1cccnc1/N=c1\scc(n1Cc1ccccc1)C
• Title of publication: Structure of 3-benzyl-2-(3-hydroxy-2-pyridylimino)-4-methyl-2,3-dihydro-1,3-thiazole, C~16~H~15~N~3~OS
• Authors of publication: Angelova, O.; Macíček, J.; Kalcheva, V.; Tosheva, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2167 - 2169
• a: 8.428 ± 0.002 Å
• b: 9.816 ± 0.002 Å
• c: 10.064 ± 0.002 Å
• α: 64.55 ± 0.02°
• β: 73.66 ± 0.02°
• γ: 79.39 ± 0.02°
• Cell volume: 719.5 ± 0.3 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for all reflections: 1.763
• Goodness-of-fit parameter for significantly intense reflections: 1.774
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No