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Information card for entry 2243771
Preview
Coordinates | 2243771.cif |
---|---|
Structure factors | 2243771.hkl |
Original IUCr paper | HTML |
Chemical name | 4-(4-Bromophenyl)-2-[5'-(2,4-dichlorophenoxy)-3'-methyl-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'<i>H</i>,2<i>H</i>-3,4'-bipyrazole-2-yl]-4-thiazole |
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Formula | C32 H22 Br Cl2 N5 O S2 |
Calculated formula | C32 H22 Br Cl2 N5 O S2 |
Title of publication | Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products |
Authors of publication | Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2021 |
Journal volume | 77 |
Journal issue | 4 |
Pages of publication | 335 - 340 |
a | 12.32 ± 0.0009 Å |
b | 12.57 ± 0.0009 Å |
c | 12.7742 ± 0.0009 Å |
α | 117.202 ± 0.008° |
β | 102.879 ± 0.007° |
γ | 105.727 ± 0.007° |
Cell volume | 1548.4 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0886 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0946 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
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