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Information card for entry 8106846
Preview
Coordinates | 8106846.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H15 N3 O S |
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Calculated formula | C15 H15 N3 O S |
Title of publication | Crystal structure of 3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carboxamide |
Authors of publication | Barakat, Assem; Shivalingegowda, Naveen; Renuka, Nagamallu; Kariyappa, Ajay Kumar; Abdoh, Muneer; Warad, Ismail; Lokanath, Neratur Krishnappagowda |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 1 |
Pages of publication | 267 - 269 |
a | 10.2852 ± 0.0005 Å |
b | 10.1649 ± 0.0005 Å |
c | 14.7694 ± 0.0008 Å |
α | 90° |
β | 107.442 ± 0.002° |
γ | 90° |
Cell volume | 1473.11 ± 0.13 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 5 |
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 | 0.048 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1241 |
Weighted residual factors for all reflections included in the refinement | 0.1275 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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