Information card for entry 7100497

Structure parameters

• Common name: 4-Amino-4'-cyanodiphenyl ether
• Formula: C13 H10 N2 O
• Calculated formula: C13 H10 N2 O
• SMILES: O(c1ccc(cc1)N)c1ccc(C#N)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: 11.6484 ± 0.0019 Å
• b: 5.6103 ± 0.001 Å
• c: 16.746 ± 0.003 Å
• α: 90°
• β: 100.581 ± 0.003°
• γ: 90°
• Cell volume: 1075.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No