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Information card for entry 2240102
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| Coordinates | 2240102.cif |
|---|---|
| Structure factors | 2240102.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-[(<i>E</i>)-2-(4-Phenyl-1,3-thiazol-2-yl)hydrazin-1-ylidene]indolin-2-one |
|---|---|
| Formula | C17 H12 N4 O S |
| Calculated formula | C17 H12 N4 O S |
| SMILES | s1cc(nc1N/N=C1/c2ccccc2NC1=O)c1ccccc1 |
| Title of publication | Crystal structure of 3-[(<i>E</i>)-2-(4-phenyl-1,3-thiazol-2-yl)hydrazin-1-ylidene]indolin-2-one |
| Authors of publication | Halasangi, Bhimashankar M.; Badami, Prema S.; Patil, Sangamesh A.; Anil Kumar, G. N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1177 - o1178 |
| a | 17.7108 ± 0.0008 Å |
| b | 5.1411 ± 0.0002 Å |
| c | 15.9065 ± 0.0006 Å |
| α | 90° |
| β | 94.706 ± 0.003° |
| γ | 90° |
| Cell volume | 1443.45 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0766 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240102.cif 2240102.hkl |
| 181321 | 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 2/24/01. |
2240102.cif 2240102.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. |
2240102.cif 2240102.hkl |
| 125884 | 2014-10-26 | cif/ hkl/ Adding structures of 2240102 via cif-deposit CGI script. |
2240102.cif 2240102.hkl |
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