Information card for entry 2004866

Structure parameters

• Formula: C7 H5 N5 O3
• Calculated formula: C7 H5 N5 O3
• Title of publication: A New Analogue of Nifurtimox
• Authors of publication: Caracelli, I.; Stamato, F. M. L. G.; Mester, B.; Paulino, M.; Cerecetto, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1281 - 1282
• a: 11.952 ± 0.002 Å
• b: 6.255 ± 0.001 Å
• c: 11.708 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 875.3 ± 0.3 ų
• Cell temperature: 292 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0449
• Goodness-of-fit parameter for significantly intense reflections: 1.68
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No