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Information card for entry 8101901
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| Coordinates | 8101901.cif |
|---|---|
| External links | PubChem |
| Chemical name | (E)-4-methoxy-nitrophenone N-(2,4-dinitrophenyl)hydrazone |
|---|---|
| Formula | C14 H11 N5 O7 |
| Calculated formula | C14 H11 N5 O7 |
| SMILES | N(=C(N(=O)=O)\c1ccc(OC)cc1)\Nc1ccc(N(=O)=O)cc1N(=O)=O |
| Title of publication | Crystal structure of (E)-4-methoxy-nitrophenone N-(2,4-dinitrophenyl) hydrazone, C~14~H~11~N~5~O~7~ |
| Authors of publication | Zhao, L.-F. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 1 |
| Pages of publication | 29 - 30 |
| a | 15.075 ± 0.002 Å |
| b | 17.683 ± 0.003 Å |
| c | 6.099 ± 0.001 Å |
| α | 90° |
| β | 100.43 ± 0.01° |
| γ | 90° |
| Cell volume | 1599 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0983 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1587 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101901.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101901.cif |
| 107946 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101901.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101901.cif |
| 12640 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101901 via cif-deposit CGI script. |
8101901.cif |
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