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Information card for entry 7222003
Preview
| Coordinates | 7222003.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2-(3-phenylprop-2-en-1-ylidene)-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate |
|---|---|
| Formula | C18 H19 Cl N4 O |
| Calculated formula | C18 H19 Cl N4 O |
| SMILES | c1([nH+]ncc2c1cccc2)N/N=C/C=C/c1ccccc1.[Cl-].OC |
| Title of publication | Solid-state studies of phthalazinylhydrazones and triazolophthalazines: the role of the nitro group |
| Authors of publication | Trzesowska-Kruszynska, Agata |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 40 |
| Pages of publication | 7702 |
| a | 12.3783 ± 0.0008 Å |
| b | 13.7779 ± 0.0009 Å |
| c | 19.8004 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3376.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222003.cif |
| 171089 | 2015-12-09 | cif/ Updating files of 7221992, 7221993, 7221994, 7221995, 7221996, 7221997, 7221998, 7221999, 7222000, 7222001, 7222002, 7222003, 7222004 Original log message: Adding full bibliography for 7221992--7222004.cif. |
7222003.cif |
| 154298 | 2015-09-05 | cif/ Adding structures of 7221992, 7221993, 7221994, 7221995, 7221996, 7221997, 7221998, 7221999, 7222000, 7222001, 7222002, 7222003, 7222004 via cif-deposit CGI script. |
7222003.cif |
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