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Information card for entry 2019095
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| Coordinates | 2019095.cif |
|---|---|
| Structure factors | 2019095.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2-(2-(4-bromobenzylidene)hydrazinyl)quinoxaline |
|---|---|
| Formula | C15 H11 Br N4 |
| Calculated formula | C15 H11 Br N4 |
| SMILES | Brc1ccc(cc1)/C=N/Nc1cnc2c(n1)cccc2 |
| Title of publication | Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues |
| Authors of publication | Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | 920 - 926 |
| a | 12.002 ± 0.005 Å |
| b | 9.17 ± 0.003 Å |
| c | 12.617 ± 0.005 Å |
| α | 90° |
| β | 100.004 ± 0.006° |
| γ | 90° |
| Cell volume | 1367.5 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0658 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90. |
2019095.cif 2019095.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019095.cif 2019095.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019095.cif 2019095.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019095.cif 2019095.hkl |
| 88282 | 2013-09-04 | cif/ Adding structures of 2019089, 2019090, 2019091, 2019092, 2019093, 2019094, 2019095 via cif-deposit CGI script. |
2019095.cif |
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Users of the data should acknowledge the original authors of the
structural data.