Information card for entry 2104865

Structure parameters

• Common name: N-benzyl-2-phenylethylammonium 4-azidebenzoate
• Chemical name: N-benzyl-2-phenylethylammonium 4-azidebenzoate
• Formula: C22 H22 N4 O2
• Calculated formula: C22.07 H22.04 N4.01 O2.02
• Title of publication: Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation
• Authors of publication: Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: 647 - 661
• a: 8.11 ± 0.0004 Å
• b: 10.3363 ± 0.0006 Å
• c: 13.6177 ± 0.0007 Å
• α: 72.377 ± 0.002°
• β: 73.542 ± 0.002°
• γ: 70.583 ± 0.001°
• Cell volume: 1004.67 ± 0.09 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No