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Information card for entry 2241030
Preview
Coordinates | 2241030.cif |
---|---|
Structure factors | 2241030.hkl |
Original IUCr paper | HTML |
Chemical name | 2,2,2-Tribromo-<i>N</i>-(2-fluorophenyl)acetamide |
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Formula | C8 H5 Br3 F N O |
Calculated formula | C8 H5 Br3 F N O |
SMILES | Fc1c(cccc1)NC(=O)C(Br)(Br)Br |
Title of publication | Crystal structures of three <i>N</i>-aryl-2,2,2-tribromoacetamides |
Authors of publication | Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Supriya, G. M.; Lakshmikantha, H. N.; Suchetan, P. A. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 9 |
Pages of publication | 1048 - 1053 |
a | 6.1825 ± 0.0013 Å |
b | 8.929 ± 0.002 Å |
c | 9.971 ± 0.002 Å |
α | 85.858 ± 0.008° |
β | 87.966 ± 0.008° |
γ | 78.919 ± 0.008° |
Cell volume | 538.6 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.046 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1182 |
Weighted residual factors for all reflections included in the refinement | 0.1198 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241030.cif 2241030.hkl |
153592 | 2015-08-22 | cif/ hkl/ Adding structures of 2241030, 2241031, 2241032 via cif-deposit CGI script. |
2241030.cif 2241030.hkl |
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Users of the data should acknowledge the original authors of the
structural data.