Information card for entry 7240105

Structure parameters

• Chemical name: 4-(5-bromopyrimidin-4-yl)phenol
• Formula: C10 H7 Br N2 O
• Calculated formula: C10 H7 Br N2 O
• Title of publication: Electrophilic alkylation of arenes with 5-bromopyrimidine en route to 4-aryl-5-alkynylpyrimidines
• Authors of publication: Shcherbakov, Stanislav S.; Magometov, Artyom Yu.; Shcherbakova, Viktoriia Yu.; Aksenov, Alexander V.; Domenyuk, Dmitriy A.; Zelensky, Vladimir A.; Rubin, Michael
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 17
• Pages of publication: 10315 - 10321
• a: 9.0376 ± 0.0002 Å
• b: 9.5049 ± 0.0002 Å
• c: 11.5608 ± 0.0002 Å
• α: 77.439 ± 0.002°
• β: 76.725 ± 0.002°
• γ: 87.542 ± 0.002°
• Cell volume: 943.39 ± 0.03 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0311
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No