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Information card for entry 2227955
Preview
| Coordinates | 2227955.cif |
|---|---|
| Structure factors | 2227955.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>^2^,<i>N</i>^2'^-Bis[4-(dimethylamino)benzylidene]pyridine-2,6- dicarbohydrazide monohydrate |
|---|---|
| Formula | C25 H29 N7 O3 |
| Calculated formula | C25 H29 N7 O3 |
| SMILES | CN(c1ccc(cc1)/C=N/NC(=O)c1cccc(n1)C(=O)N/N=C/c1ccc(cc1)N(C)C)C.O |
| Title of publication | <i>N</i>^2^,<i>N</i>^2'^-Bis[4-(dimethylamino)benzylidene]pyridine-2,6-dicarbohydrazide monohydrate |
| Authors of publication | Wang, Yong; Sun, Yan Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2718 |
| a | 8.5718 ± 0.0011 Å |
| b | 10.2802 ± 0.0014 Å |
| c | 27.112 ± 0.003 Å |
| α | 90° |
| β | 97.865 ± 0.001° |
| γ | 90° |
| Cell volume | 2366.6 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1866 |
| Weighted residual factors for all reflections included in the refinement | 0.2039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181200 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/79. |
2227955.cif 2227955.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2227955.cif 2227955.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227955.cif 2227955.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2227955.cif 2227955.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227955.cif 2227955.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227955.cif 2227955.hkl |
| 4992 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227955 via cif-deposit CGI script. |
2227955.cif |
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Users of the data should acknowledge the original authors of the
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