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Information card for entry 2239012
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| Coordinates | 2239012.cif |
|---|---|
| Structure factors | 2239012.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-[(<i>E</i>)-2-(3,4-Dichlorobenzylidene)hydrazin-1-yl]quinoxaline |
|---|---|
| Formula | C15 H10 Cl2 N4 |
| Calculated formula | C15 H10 Cl2 N4 |
| SMILES | Clc1ccc(cc1Cl)/C=N/Nc1cnc2c(n1)cccc2 |
| Title of publication | 2-[(<i>E</i>)-2-(3,4-Dichlorobenzylidene)hydrazin-1-yl]quinoxaline |
| Authors of publication | Noguiera, Thais C. M.; Pinheiro, Alexandra C.; de Souza, Marcus V. N.; Wardell, James L.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o125 |
| a | 16.0284 ± 0.0011 Å |
| b | 6.9756 ± 0.0004 Å |
| c | 12.4127 ± 0.0009 Å |
| α | 90° |
| β | 96.043 ± 0.007° |
| γ | 90° |
| Cell volume | 1380.12 ± 0.16 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0959 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1538 |
| Weighted residual factors for all reflections included in the refinement | 0.219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.204 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239012.cif 2239012.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239012.cif 2239012.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239012.cif 2239012.hkl |
| 104844 | 2014-03-11 | cif/ hkl/ Adding structures of 2239012 via cif-deposit CGI script. |
2239012.cif 2239012.hkl |
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