[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o885
[ doi:10.1107/S1600536813012610 ]

Pyrimidine-4-carboxylic acid

K. Kiegiel, W. Starosta and J. Leciejewicz


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.12 Rint given 0.129 PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.40 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 3.1 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0043 Ang PLAT355_ALERT_3_C Long O-H (X0.82,N0.98A) O1 - H1 ... 1.04 Ang.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 2 Units PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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