Information card for entry 7039750

Structure parameters

• Common name: PPQZC
• Chemical name: 6-chloro-4-phenyl-2-(pyridin-2-yl)quinazoline
• Formula: C19 H12 Cl N3
• Calculated formula: C19 H12 Cl N3
• SMILES: Clc1cc2c(nc(nc2cc1)c1ncccc1)c1ccccc1
• Title of publication: Anion directed structural diversity in zinc complexes with conformationally flexible quinazoline ligand: structural, spectral and theoretical studies.
• Authors of publication: Dwivedi, Nidhi; Panja, Sumit Kumar; Monika, ?; Saha, Satyen; Sunkari, Sailaja S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 12053 - 12068
• a: 7.5774 ± 0.001 Å
• b: 9.8402 ± 0.0014 Å
• c: 11.585 ± 0.0016 Å
• α: 96.481 ± 0.012°
• β: 103.287 ± 0.012°
• γ: 112.462 ± 0.013°
• Cell volume: 757.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No