Information card for entry 7100482

Structure parameters

• Common name: 4-(4-Iodophenoxy)benzonitrile
• Formula: C13 H8 Cl N O
• Calculated formula: C13 H8 Cl N O
• 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: 12.3125 ± 0.0017 Å
• b: 7.3792 ± 0.001 Å
• c: 11.8045 ± 0.0017 Å
• α: 90°
• β: 98.385 ± 0.002°
• γ: 90°
• Cell volume: 1061 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No