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Information card for entry 2016910
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Coordinates | 2016910.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 3N-benzyl-2-(3-hydroxy-2-pyridylimino)-4-methyl-2,3(2H)-thiazole |
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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 Å3 |
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 |
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