Information card for entry 2243308

Structure parameters

• Chemical name: <i>N</i>-(4-Methoxyphenyl)piperazine
• Formula: C11 H16 N2 O
• Calculated formula: C11 H16 N2 O
• SMILES: N1CCN(CC1)c1ccc(cc1)OC
• Title of publication: Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts
• Authors of publication: Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 488 - 495
• a: 6.9683 ± 0.0007 Å
• b: 7.9683 ± 0.0008 Å
• c: 18.975 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1053.6 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes