Information card for entry 7100479

Structure parameters

• Common name: 1-Bromo-4-(4-nitrophenoxy)benzene
• Formula: C24 H16 Br2 N2 O6
• Calculated formula: C24 H16 Br2 N2 O6
• SMILES: Brc1ccc(Oc2ccc(cc2)N(=O)=O)cc1
• Title of publication: Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.
• Authors of publication: Archan Dey; Gautam R. Desiraju
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.1199 ± 0.0009 Å
• b: 27.782 ± 0.003 Å
• c: 9.8887 ± 0.0009 Å
• α: 90°
• β: 116.745 ± 0.001°
• γ: 90°
• Cell volume: 2237.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No