Information card for entry 1574005

Structure parameters

• Chemical name: Aminopyrazine Succinate
• Formula: C12 H16 N6 O4
• Calculated formula: C12 H16 N6 O4
• SMILES: c1(cnccn1)N.C(=O)(CCC(=O)O)O.c1(cnccn1)N
• Title of publication: Optimizing optical anisotropy in low-dimensional structures <i>via</i> intralayer hydrogen bonding modulation and anionic substitution.
• Authors of publication: Arif, Muhammad; Liu, Xu; Jia, Hangwei; Yang, Zhihua; Hou, Xueling; Pan, Shilie
• Journal of publication: Materials horizons
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3538 - 3545
• a: 5.3958 ± 0.0006 Å
• b: 19.471 ± 0.002 Å
• c: 6.9453 ± 0.0007 Å
• α: 90°
• β: 104.63 ± 0.005°
• γ: 90°
• Cell volume: 706.03 ± 0.13 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No