Information card for entry 2242263

Structure parameters

• Common name: MIAN
• Chemical name: (<i>E</i>)-2-[(4-Chlorophenyl)imino]acenaphthylen-1-one
• Formula: C18 H10 Cl N O
• Calculated formula: C18 H10 Cl N O
• SMILES: Clc1ccc(/N=C\2C(=O)c3cccc4cccc2c34)cc1
• Title of publication: A temperature-dependent phase transformation of (<i>E</i>)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one
• Authors of publication: Bao, Lipiao; Olmstead, Marilyn M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• Pages of publication: 1255 - 1258
• a: 9.0447 ± 0.0012 Å
• b: 6.8764 ± 0.0009 Å
• c: 10.9021 ± 0.0014 Å
• α: 90°
• β: 92.959 ± 0.002°
• γ: 90°
• Cell volume: 677.15 ± 0.15 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes