Information card for entry 7225753

Structure parameters

• Common name: Pyrazine-2-Amidoxime
• Formula: C5 H6 N4 O
• Calculated formula: C5 H6 N4 O
• SMILES: n1c(cncc1)/C(N)=N/O
• Title of publication: Crystalline pyrazine-2-amidoxime isolated by diffusion method and its structural and behavioral analysis in the context of crystal engineering and microbiological activity
• Authors of publication: Chylewska, Agnieszka; Ogryzek, Malgorzata; Głębocka, Angelika; Sikorski, Artur; Turecka, Katarzyna; Raczynska, Ewa; Makowski, Mariusz
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 3.7805 ± 0.00015 Å
• b: 10.5723 ± 0.0003 Å
• c: 15.0385 ± 0.0005 Å
• α: 90°
• β: 94.249 ± 0.003°
• γ: 90°
• Cell volume: 599.42 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No