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Information card for entry 2239691
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| Coordinates | 2239691.cif |
|---|---|
| Structure factors | 2239691.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-4-Methoxy-<i>N</i>'-[(6-methyl-4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide monohydrate |
|---|---|
| Formula | C19 H18 N2 O5 |
| Calculated formula | C19 H18 N2 O5 |
| SMILES | o1cc(c(=O)c2cc(ccc12)C)/C=N/NC(=O)c1ccc(OC)cc1.O |
| Title of publication | (<i>E</i>)-4-Methoxy-<i>N</i>'-[(6-methyl-4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide monohydrate |
| Authors of publication | Ishikawa, Yoshinobu; Watanabe, Kohzoh |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | o784 |
| a | 7.6228 ± 0.0013 Å |
| b | 10.809 ± 0.003 Å |
| c | 11.26 ± 0.002 Å |
| α | 116.339 ± 0.014° |
| β | 94.258 ± 0.014° |
| γ | 96.19 ± 0.016° |
| Cell volume | 818.8 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239691.cif 2239691.hkl |
| 181315 | 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 2/23/96. |
2239691.cif 2239691.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. |
2239691.cif 2239691.hkl |
| 118128 | 2014-06-26 | cif/ hkl/ Adding structures of 2239691 via cif-deposit CGI script. |
2239691.cif 2239691.hkl |
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