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Information card for entry 2241232
Preview
Coordinates | 2241232.cif |
---|---|
Structure factors | 2241232.hkl |
Original IUCr paper | HTML |
Common name | 2-Methylpyridinium picrate |
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Chemical name | 2-Methylpyridinium 2,4,6-trinitrophenolate |
Formula | C12 H10 N4 O7 |
Calculated formula | C12 H10 N4 O7 |
SMILES | c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.c1(cccc[nH+]1)C |
Title of publication | Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate |
Authors of publication | Gomathi, Jeganathan; Kalaivani, Doraisamyraja |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 11 |
Pages of publication | o848 - o849 |
a | 8.1524 ± 0.0004 Å |
b | 11.8809 ± 0.0006 Å |
c | 14.6377 ± 0.0009 Å |
α | 102.077 ± 0.003° |
β | 90.001 ± 0.003° |
γ | 100.692 ± 0.003° |
Cell volume | 1361.21 ± 0.13 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 | 0.0889 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.1276 |
Weighted residual factors for all reflections included in the refinement | 0.1585 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241232.cif 2241232.hkl |
169828 | 2015-10-29 | cif/ hkl/ Adding structures of 2241232 via cif-deposit CGI script. |
2241232.cif 2241232.hkl |
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Users of the data should acknowledge the original authors of the
structural data.