Information card for entry 7249669

Structure parameters

• Formula: C9 H6 N4 O3
• Calculated formula: C9 H6 N4 O3
• Title of publication: R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides
• Authors of publication: Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 372 - 385
• a: 5.89689 ± 0.00013 Å
• b: 8.54466 ± 0.00018 Å
• c: 9.10721 ± 0.00012 Å
• α: 77.3481 ± 0.0015°
• β: 87.0582 ± 0.0015°
• γ: 80.0249 ± 0.0018°
• Cell volume: 440.931 ± 0.015 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No