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Information card for entry 8106955
Preview
Coordinates | 8106955.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (2Z)-3-hydroxy-1-(1,5-dimethyl-1H-pyrazol-3-yl)but-2-en-1-one |
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Formula | C9 H12 N2 O2 |
Calculated formula | C9 H12 N2 O2 |
Title of publication | Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2 |
Authors of publication | Radi, Smaail; Tighadouini, Said; Hadda, Taibi Ben; Akkurt, Mehmet; Özdemir, Namık; Sirajuddin, Muhammad; Mabkhot, Yahia N. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 2 |
Pages of publication | 617 - 618 |
a | 6.6954 ± 0.0007 Å |
b | 7.6325 ± 0.0008 Å |
c | 9.8928 ± 0.0011 Å |
α | 95.908 ± 0.009° |
β | 92.81 ± 0.009° |
γ | 108.36 ± 0.008° |
Cell volume | 475.49 ± 0.09 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1012 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for significantly intense reflections | 0.1376 |
Weighted residual factors for all reflections included in the refinement | 0.1549 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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