Information card for entry 7228454

Structure parameters

• Common name: cytosine/5-flucytosine solid solution I
• Chemical name: 4-aminopyrimidin-2(1H)-one/4-amino-5-fluoro-pyrimidin-2(1H)-one
• Formula: C4 H4.393 F0.607 N3 O
• Calculated formula: C4 H4.393 F0.607 N3 O
• Title of publication: Prediction and Experimental Validation of Solid Solutions and Isopolymorphs of Cytosine/5-Flucytosine
• Authors of publication: Braun, Doris Elfriede; Griesser, Ulrich J.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 6.67372 ± 0.00005 Å
• b: 6.67372 ± 0.00005 Å
• c: 23.629 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1052.4 ± 0.017 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Goodness-of-fit parameter for all reflections: 1.983
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No