[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3300-o3301
[ doi:10.1107/S1600536812044029 ]

3-[(Furan-2-yl)carbonyl]-1-(pyrimidin-2-yl)thiourea

D. P. Singh, S. Pratap, S. K. Gupta and R. J. Butcher


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.14 PLAT725_ALERT_2_C D-H Calc 0.93000, Rep 0.95000 Dev... 0.02 Ang. C10 -H10A 1.555 1.555 # 26 PLAT726_ALERT_2_C H...A Calc 2.76000, Rep 2.74000 Dev... 0.02 Ang. H10A -S1 1.555 3.766 # 26 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 16
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 32
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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