Test Crystallography Open Database

Information card for entry 7200069

7200068 << 7200069 >> 7200070

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Coordinates	7200069.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barbituric acid
Chemical name	2,4,6(1H,3H,5H)-pyrimidinetrione
Formula	C4 H4 N2 O3
Calculated formula	C4 H4 N2 O3
Title of publication	On the high-temperature phase of barbituric acid
Authors of publication	Többens, Daniel M.; Glinneman, Jürgen; Chierotti, Michele R.; van de Streek, Jacco; Sheptyakov, Denis
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	9
Pages of publication	3046
a	8.5302 ± 0.0003 Å
b	6.8167 ± 0.0003 Å
c	9.3304 ± 0.0004 Å
α	90°
β	89.865 ± 0.002°
γ	90°
Cell volume	542.54 ± 0.04 Å³
Cell temperature	509 K
Ambient diffraction temperature	509 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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