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Information card for entry 2239452
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| Coordinates | 2239452.cif |
|---|---|
| Structure factors | 2239452.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 5-((Methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}methyl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine |
|---|---|
| Formula | C24 H22 N4 O3 |
| Calculated formula | C24 H22 N4 O3 |
| SMILES | CO/N=C(c1ccccc1COc1ccccc1C)/c1nnc(o1)Nc1ccccc1 |
| Title of publication | 5-((Methoxyimino){2-[(2-methylphenoxy)methyl]phenyl}methyl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine |
| Authors of publication | Sharma, Devinder K.; Shripanavar, Chetan S.; Anthal, Sumati; Gupta, Vivek K.; Kant, Rajni |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o357 - o358 |
| a | 7.0629 ± 0.0004 Å |
| b | 12.5553 ± 0.0009 Å |
| c | 13.3705 ± 0.0011 Å |
| α | 68.321 ± 0.007° |
| β | 83.678 ± 0.006° |
| γ | 78.567 ± 0.006° |
| Cell volume | 1079.04 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.0839 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239452.cif 2239452.hkl |
| 181313 | 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 2/23/94. |
2239452.cif 2239452.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. |
2239452.cif 2239452.hkl |
| 110735 | 2014-04-19 | cif/ hkl/ Adding structures of 2239452 via cif-deposit CGI script. |
2239452.cif 2239452.hkl |
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