Information card for entry 7228455

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 H4.359 F0.641 N3 O
• Calculated formula: C4 H4.359 F0.641 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: 4.00808 ± 0.00009 Å
• b: 9.43931 ± 0.00011 Å
• c: 13.0306 ± 0.0002 Å
• α: 90°
• β: 91.179 ± 0.002°
• γ: 90°
• Cell volume: 492.889 ± 0.015 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 1.798
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No