Information card for entry 7202766

Structure parameters

• Formula: C25 H20 N2 O3
• Calculated formula: C25 H20 N2 O3
• SMILES: c1cc(O)ccc1C(=O)c1ccc(cc1)O.c1cc(ccn1)/C=C/c1ccncc1
• Title of publication: Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs
• Authors of publication: Wang, Jing; Ding, Liyu; Yang, Caiqin
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 591
• a: 23.76 ± 0.002 Å
• b: 6.0368 ± 0.0005 Å
• c: 13.6085 ± 0.0012 Å
• α: 90°
• β: 101.123 ± 0.003°
• γ: 90°
• Cell volume: 1915.3 ± 0.3 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 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: 0.0522
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No