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Information card for entry 2243997
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2243997.cif |
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Structure factors | 2243997.hkl |
Original IUCr paper | HTML |
Chemical name | Dimethyl 3-(3-bromophenyl)-6-methyl-7-oxo-3,5,6,7-tetrahydropyrazolo[1,2-<i>a</i>]pyrazole-1,2-dicarboxylate |
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Formula | C17 H17 Br N2 O5 |
Calculated formula | C17 H17 Br N2 O5 |
Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of dimethyl 3-(3-bromophenyl)-6-methyl-7-oxo-3,5,6,7-tetrahydropyrazolo[1,2-<i>a</i>]pyrazole-1,2-dicarboxylate |
Authors of publication | El Ajlaoui, Rahhal; Hakmaoui, Yassine; Rakib, El Mostapha; Ketatni, El Mostafa; Saadi, Mohamed; El Ammari, Lahcen |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2022 |
Journal volume | 78 |
Journal issue | 2 |
a | 8.8579 ± 0.0005 Å |
b | 10.5336 ± 0.0006 Å |
c | 11.0893 ± 0.0006 Å |
α | 62.282 ± 0.002° |
β | 75.437 ± 0.002° |
γ | 88.241 ± 0.002° |
Cell volume | 882.03 ± 0.09 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0355 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0738 |
Weighted residual factors for all reflections included in the refinement | 0.0781 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2243997.html
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Users of the data should acknowledge the original authors of the
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