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Information card for entry 8106246
Preview
Coordinates | 8106246.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H19 N5 O2 |
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Calculated formula | C19 H19 N5 O2 |
SMILES | O=C(N/N=C/c1ccc(OC)cc1)c1nnn(c2ccc(cc2)C)c1C |
Title of publication | Crystal structure of (E)-N′-(4-methoxybenzylidene)-5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbohydrazide, C19H19N5O2 |
Authors of publication | Alotaibi, Mohammad Hayal |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 233 |
Journal issue | 4 |
Pages of publication | 649 - 650 |
a | 6.632 ± 0.0003 Å |
b | 10.3272 ± 0.0005 Å |
c | 13.0832 ± 0.0006 Å |
α | 102.751 ± 0.002° |
β | 96.13 ± 0.002° |
γ | 103.079 ± 0.002° |
Cell volume | 839.63 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0736 |
Residual factor for significantly intense reflections | 0.0553 |
Weighted residual factors for significantly intense reflections | 0.1384 |
Weighted residual factors for all reflections included in the refinement | 0.1521 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
279545 (current) | 2022-11-24 | cif/ Adding structures of 8106246 via cif-deposit CGI script. |
8106246.cif |
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