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Information card for entry 2240424
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| Coordinates | 2240424.cif |
|---|---|
| Structure factors | 2240424.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-[(4-Benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione |
|---|---|
| Formula | C18 H20 N4 O S2 |
| Calculated formula | C18 H20 N4 O S2 |
| Title of publication | Crystal structure of 3-[(4-benzylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione |
| Authors of publication | Al-Omary, Fatmah A. M.; El-Emam, Ali A.; Ghabbour, Hazem A.; Chidan Kumar, C. S.; Quah, Ching Kheng; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | o175 - o176 |
| a | 10.6909 ± 0.0005 Å |
| b | 29.3658 ± 0.0013 Å |
| c | 15.6179 ± 0.0006 Å |
| α | 90° |
| β | 130.283 ± 0.002° |
| γ | 90° |
| Cell volume | 3740.4 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240424.cif 2240424.hkl |
| 181324 | 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 2/24/04. |
2240424.cif 2240424.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240424.cif 2240424.hkl |
| 131802 | 2015-02-13 | cif/ hkl/ Adding structures of 2240424 via cif-deposit CGI script. |
2240424.cif 2240424.hkl |
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Users of the data should acknowledge the original authors of the
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