Information card for entry 7100476

Structure parameters

• Common name: 1-(4-methoxyphenoxy)-4-nitrobenzene
• Formula: C13 H11 N O4
• Calculated formula: C13 H11 N O4
• SMILES: N(=O)(c1ccc(Oc2ccc(OC)cc2)cc1)=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: 12.3992 ± 0.0003 Å
• b: 7.4839 ± 0.0002 Å
• c: 12.2812 ± 0.0003 Å
• α: 90°
• β: 101.431 ± 0.001°
• γ: 90°
• Cell volume: 1117.02 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: No
• Has Fobs: No