Information card for entry 4031344

Structure parameters

• Common name: E-INPH
• Chemical name: (1E,2E)-2-hydrazono-1-phenylethanone oxime
• Formula: C8 H9 N3 O
• Calculated formula: C8 H9 N3 O
• SMILES: c1(ccccc1)C(=N\N)/C=N/O
• Title of publication: Regioselective Synthesis of V-Shaped Bistriazinyl-phenanthrolines.
• Authors of publication: Coogan, Niall T.; Chimes, Michael A.; Raftery, James; Mocilac, Pavle; Denecke, Melissa A.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 17
• Pages of publication: 8684 - 8693
• a: 8.2989 ± 0.0004 Å
• b: 10.3062 ± 0.0005 Å
• c: 10.3246 ± 0.0005 Å
• α: 72.166 ± 0.005°
• β: 86.199 ± 0.004°
• γ: 73.29 ± 0.004°
• Cell volume: 804.9 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No