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Information card for entry 2238466
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| Coordinates | 2238466.cif |
|---|---|
| Structure factors | 2238466.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]thiophene-2-carbohydrazide |
|---|---|
| Formula | C12 H9 Cl N2 O S |
| Calculated formula | C12 H9 Cl N2 O S |
| SMILES | O=C(c1cccs1)N/N=C/c1ccccc1Cl |
| Title of publication | <i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]thiophene-2-carbohydrazide |
| Authors of publication | Warad, Ismail; Haddad, Salim F.; Al-Noaimi, Mousa; Hammouti, Belkheir; Ben Hadda, Taibi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | o1442 |
| a | 24.9465 ± 0.0015 Å |
| b | 4.3709 ± 0.0003 Å |
| c | 21.8091 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2378 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (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 2/23/84. |
2238466.cif 2238466.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. |
2238466.cif 2238466.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238466.cif 2238466.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238466.cif 2238466.hkl |
| 88586 | 2013-10-02 | cif/ Adding structures of 2238466 via cif-deposit CGI script. |
2238466.cif |
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Users of the data should acknowledge the original authors of the
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