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Information card for entry 2238356
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| Coordinates | 2238356.cif |
|---|---|
| Structure factors | 2238356.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-2,4,5-trimethoxybenzylidene]hydrazine |
|---|---|
| Formula | C16 H16 N4 O7 |
| Calculated formula | C16 H16 N4 O7 |
| SMILES | O=N(=O)c1c(N/N=C/c2c(OC)cc(OC)c(OC)c2)ccc(N(=O)=O)c1 |
| Title of publication | 1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-2,4,5-trimethoxybenzylidene]hydrazine |
| Authors of publication | Fun, Hoong-Kun; Chantrapromma, Suchada; Nilwanna, Boonlerd; Kobkeatthawin, Thawanrat; Boonnak, Nawong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1203 - o1204 |
| a | 8.0273 ± 0.0013 Å |
| b | 15.048 ± 0.002 Å |
| c | 13.686 ± 0.002 Å |
| α | 90° |
| β | 101.546 ± 0.003° |
| γ | 90° |
| Cell volume | 1619.7 ± 0.4 Å3 |
| Cell temperature | 100 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 | 0.1277 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 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 2/23/83. |
2238356.cif 2238356.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. |
2238356.cif 2238356.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2238356.cif 2238356.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238356.cif 2238356.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238356.cif 2238356.hkl |
| 88198 | 2013-09-04 | cif/ Adding structures of 2238356 via cif-deposit CGI script. |
2238356.cif |
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