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Information card for entry 1547260
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Coordinates | 1547260.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-nitroso-2-phenylimidazo[1,2-a]pyridine |
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Formula | C13 H9 N3 O |
Calculated formula | C13 H9 N3 O |
SMILES | c1(ccccc1)c1c(n2c(cccc2)n1)N=O |
Title of publication | Intramolecular H-bonding interaction in angular 3-pi-EWG substituted imidazo[1,2-a]pyridines contributes to conformational preference |
Authors of publication | Manuel Velazquez-Ponce; Hector Salgado-Zamora; Hugo A Jimenez-Vazquez; Maria Elena Campos-Aldrete; Rogelio Jimenez; Humberto Cervantes; Taibi Ben Hadda |
Journal of publication | Chemistry Central Journal |
Year of publication | 2013 |
Journal volume | 7 |
Pages of publication | 20 |
a | 10.8388 ± 0.0003 Å |
b | 8.8885 ± 0.0003 Å |
c | 22.1827 ± 0.0007 Å |
α | 90° |
β | 100.433 ± 0.003° |
γ | 90° |
Cell volume | 2101.76 ± 0.12 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1249 |
Residual factor for significantly intense reflections | 0.0754 |
Weighted residual factors for significantly intense reflections | 0.134 |
Weighted residual factors for all reflections included in the refinement | 0.1481 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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