Information card for entry 7221999

Structure parameters

• Chemical name: 2-(4-nitrobenzylidene)-1-(phthalazin-1(2H)-ylidene)hydrazine
• Formula: C15 H11 N5 O2
• Calculated formula: C15 H11 N5 O2
• SMILES: C1(/NN=Cc2c1cccc2)=N/N=C/c1ccc(cc1)N(=O)=O
• 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: 14.9193 ± 0.0004 Å
• b: 3.8014 ± 0.0001 Å
• c: 23.8964 ± 0.0007 Å
• α: 90°
• β: 107.195 ± 0.001°
• γ: 90°
• Cell volume: 1294.69 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No