Information card for entry 7221992

Structure parameters

• Chemical name: 1-[(3-phenylprop-2-en-1-ylidene)hydrazinylidene]-1,2-dihydrophthalazine
• Formula: C17 H14 N4
• Calculated formula: C17 H14 N4
• SMILES: N1N=Cc2c(/C1=N/N=C/C=C/c1ccccc1)cccc2
• 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: 15.103 ± 0.0007 Å
• b: 3.913 ± 0.0003 Å
• c: 23.4694 ± 0.0012 Å
• α: 90°
• β: 101.363 ± 0.009°
• γ: 90°
• Cell volume: 1359.81 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No