Information card for entry 7100478

Structure parameters

• Common name: 4-Chloro-4'-nitrodiphenyl ether
• Formula: C12 H8 Cl N O3
• Calculated formula: C12 H8 Cl N O3
• 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: 10.06 ± 0.0006 Å
• b: 7.2712 ± 0.0005 Å
• c: 15.639 ± 0.001 Å
• α: 90°
• β: 97.458 ± 0.001°
• γ: 90°
• Cell volume: 1134.29 ± 0.13 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No