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Information card for entry 7205105
Preview
Coordinates | 7205105.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H18 N2 O3 |
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Calculated formula | C15 H18 N2 O3 |
SMILES | O=C1NC(C(=C(N1)C)C(=O)OCC)c1ccc(cc1)C |
Title of publication | Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates |
Authors of publication | Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Row, T. N. Guru |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 591 |
a | 12.7835 ± 0.0006 Å |
b | 7.3412 ± 0.0003 Å |
c | 29.5499 ± 0.0014 Å |
α | 90° |
β | 93.462 ± 0.004° |
γ | 90° |
Cell volume | 2768.1 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.1117 |
Residual factor for significantly intense reflections | 0.058 |
Weighted residual factors for significantly intense reflections | 0.1323 |
Weighted residual factors for all reflections included in the refinement | 0.1452 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7205105.html
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