Information card for entry 7208520

Structure parameters

• Chemical name: D4 2-aminopyrazine, HOOC-(CH2)8-COOH
• Formula: C14 H23 N3 O4
• Calculated formula: C14 H23 N3 O4
• Title of publication: Exploring the structural landscape of 2-aminopyrazines via co-crystallizations
• Authors of publication: Aakeröy, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 5845
• a: 5.7935 ± 0.0006 Å
• b: 7.509 ± 0.0008 Å
• c: 8.7271 ± 0.0008 Å
• α: 92.984 ± 0.004°
• β: 91.952 ± 0.005°
• γ: 98.57 ± 0.005°
• Cell volume: 374.57 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No