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Information card for entry 2023213
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Coordinates | 2023213.cif |
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Original IUCr paper | HTML |
Chemical name | [1-(4-Bromophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]methyl 2-(4-nitrophenoxy)acetate |
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Formula | C17 H13 Br N4 O5 |
Calculated formula | C17 H13 Br N4 O5 |
Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of [1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]methyl 2-(4-nitrophenoxy)acetate |
Authors of publication | Hakimov, Muminjon; Khozhimatova, Shakhnoza; Ortikov, Ilkhomjon; Abdugafurov, Ibragimdjan; Tojiboev, Akmaljon |
Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 8 |
Pages of publication | 910 - 912 |
a | 17.3468 ± 0.0003 Å |
b | 10.40583 ± 0.00019 Å |
c | 9.87841 ± 0.00016 Å |
α | 90° |
β | 99.4243 ± 0.0016° |
γ | 90° |
Cell volume | 1759.06 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0439 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0878 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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293618 (current) | 2024-08-01 | cif/ Adding structures of 2023213 via cif-deposit CGI script. |
2023213.cif |
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