Information card for entry 7222001

Structure parameters

• Chemical name: 2-[3-(4-nitrophenyl)prop-2-en-1-ylidene]-1-(phthalazin-1(2H)-ylidene)hydrazinium chloride methanol solvate
• Formula: C18 H18 Cl N5 O3
• Calculated formula: C18 H18 Cl N5 O3
• SMILES: [Cl-].c1([nH+]ncc2c1cccc2)N/N=C/C=C/c1ccc(cc1)N(=O)=O.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: 7.7747 ± 0.0005 Å
• b: 9.9551 ± 0.0006 Å
• c: 12.0764 ± 0.0009 Å
• α: 99.836 ± 0.004°
• β: 102.862 ± 0.004°
• γ: 91.51 ± 0.005°
• Cell volume: 895.82 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No