Information card for entry 7123845

Structure parameters

• Chemical name: 3-Phenyl-4-(2-pyridinyl)-sydnone
• Formula: C13 H9 N3 O2
• Calculated formula: C13 H9 N3 O2
• Title of publication: Mechanosynthesis of Sydnone-containing Coordination Complexes
• Authors of publication: Petry, Nicolas; Vanderbeeken, Thibaut; Malher, Astrid; Bringer, Yoan; Retailleau, Pascal; Bantreil, Xavier; Lamaty, Frédéric
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.7441 ± 0.0008 Å
• b: 13.0971 ± 0.0015 Å
• c: 10.0411 ± 0.001 Å
• α: 90°
• β: 100.651 ± 0.01°
• γ: 90°
• Cell volume: 1130.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No