Information card for entry 2215472

Structure parameters

• Chemical name: (E,E)-4,4'-Dichloro-2,2'-(1,1'-azinodiethylene)diphenol
• Formula: C16 H14 Cl2 N2 O2
• Calculated formula: C16 H14 Cl2 N2 O2
• SMILES: CC(=N\N=C(\c1cc(Cl)ccc1O)C)/c1cc(Cl)ccc1O
• Title of publication: (<i>E</i>,<i>E</i>)-4,4'-Dichloro-2,2'-(1,1'-azinodimethylene)diphenol
• Authors of publication: Jian-Guo Chang; Guo-Fang He; Yan-Fei Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3982 - o3982
• a: 3.9105 ± 0.0002 Å
• b: 6.2985 ± 0.0004 Å
• c: 15.1479 ± 0.0009 Å
• α: 89.52 ± 0.002°
• β: 88.792 ± 0.001°
• γ: 86.164 ± 0.002°
• Cell volume: 372.17 ± 0.04 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes