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Information card for entry 8102697
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| Coordinates | 8102697.cif |
|---|---|
| External links | ChemSpider; PubChem |
| Chemical name | N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide methanol solvate |
|---|---|
| Formula | C16 H19 N3 O4 |
| Calculated formula | C16 H19 N3 O4 |
| SMILES | C(=NNC(=O)c1ccncc1)c1cc(OCC)c(cc1)O.OC |
| Title of publication | Crystal structure of N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide — methanol (1:1), C15H15N3O3 · CH3OH |
| Authors of publication | Heng-Yu Qian; Zhen-Xin Zhao; Chun-Xia Zhan; Zhi-Gang Yin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 2 |
| Pages of publication | 383 |
| a | 11.2785 ± 0.0008 Å |
| b | 6.4429 ± 0.0003 Å |
| c | 11.8901 ± 0.0008 Å |
| α | 90° |
| β | 109.068 ± 0.008° |
| γ | 90° |
| Cell volume | 816.6 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0747 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.0643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.761 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102697.cif |
| 202018 | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8102697.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102697.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102697.cif |
| 13436 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102697 via cif-deposit CGI script. |
8102697.cif |
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