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Information card for entry 2239263
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| Coordinates | 2239263.cif |
|---|---|
| Structure factors | 2239263.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3<i>H</i>)-one dichloromethane hemisolvate |
|---|---|
| Formula | C14.5 H9 Cl N4 O6 |
| Calculated formula | C14.5 H9 Cl N4 O6 |
| SMILES | C(Cl)Cl.N(/N=C/1OC(=O)c2c1cccc2)c1c(N(=O)=O)cc(N(=O)=O)cc1 |
| Title of publication | (<i>Z</i>)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3<i>H</i>)-one dichloromethane hemisolvate |
| Authors of publication | Agarwal, Palak; Mishra, Pragati; Gupta, Nikita; Neelam; Sahoo, Priyaranjan; Kumar, Satish |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | o418 |
| a | 14.0834 ± 0.0011 Å |
| b | 8.2605 ± 0.0006 Å |
| c | 26.561 ± 0.002 Å |
| α | 90° |
| β | 93.816 ± 0.007° |
| γ | 90° |
| Cell volume | 3083.1 ± 0.4 Å3 |
| Cell temperature | 297.15 ± 0.02 K |
| Ambient diffraction temperature | 297.15 ± 0.02 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0934 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196234 (current) | 2017-05-05 | cif/2 Fixing Z values and formulae |
2239263.cif 2239263.hkl |
| 181892 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239263.cif 2239263.hkl |
| 181311 | 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 2/23/92. |
2239263.cif 2239263.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. |
2239263.cif 2239263.hkl |
| 108835 | 2014-04-03 | cif/ hkl/ Adding structures of 2239263 via cif-deposit CGI script. |
2239263.cif 2239263.hkl |
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Users of the data should acknowledge the original authors of the
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