Information card for entry 2018575

Structure parameters

• Chemical name: (<i>E</i>)-2-({[4-(dimethylamino)phenyl]imino}methyl)-4-nitrophenol
• Formula: C15 H15 N3 O3
• Calculated formula: C15 H15 N3 O3
• SMILES: Oc1ccc(N(=O)=O)cc1/C=N/c1ccc(N(C)C)cc1
• Title of publication: Two (<i>E</i>)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols
• Authors of publication: Valkonen, Arto; Kolehmainen, Erkki; Grzegórska, Aleksandra; Ośmiałowski, Borys; Gawinecki, Ryszard; Rissanen, Kari
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o279 - o282
• a: 31.688 ± 0.002 Å
• b: 6.7674 ± 0.0005 Å
• c: 13.146 ± 0.001 Å
• α: 90°
• β: 106.545 ± 0.006°
• γ: 90°
• Cell volume: 2702.4 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1718
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes