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Information card for entry 2240572
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| Coordinates | 2240572.cif |
|---|---|
| Structure factors | 2240572.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-{4-[(5-chloro-1-benzofuran-2-yl)methyl]-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl}acetate |
|---|---|
| Formula | C18 H17 Cl N2 O4 |
| Calculated formula | C18 H17 Cl N2 O4 |
| Title of publication | Crystal structure of ethyl 2-{4-[(5-chloro-1-benzofuran-2-yl)methyl]-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl}acetate |
| Authors of publication | Boukharsa, Youness; El Ammari, Lahcen; Taoufik, Jamal; Saadi, Mohamed; Ansar, M'hammed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o291 - o292 |
| a | 7.9792 ± 0.0002 Å |
| b | 8.746 ± 0.0002 Å |
| c | 25.2064 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1759.06 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0771 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240572.cif 2240572.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240572.cif 2240572.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2240572.cif 2240572.hkl |
| 135224 | 2015-04-10 | cif/ hkl/ Adding structures of 2240572 via cif-deposit CGI script. |
2240572.cif 2240572.hkl |
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Users of the data should acknowledge the original authors of the
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