Information card for entry 7100474

Structure parameters

• Common name: 4-(4-methoxyphenoxy)aniline
• Formula: C13 H13 N O2
• Calculated formula: C13 H13 N O2
• SMILES: c1(Oc2ccc(OC)cc2)ccc(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: 7.5729 ± 0.0005 Å
• b: 5.4503 ± 0.0004 Å
• c: 13.4175 ± 0.0009 Å
• α: 90°
• β: 94.077 ± 0.002°
• γ: 90°
• Cell volume: 552.4 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No