[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2625
[ doi:10.1107/S1600536812033727 ]

1-[4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone

N. Anuradha, A. Thiruvalluvar, S. Chitra, D. Devanathan and R. J. Butcher


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 2
Alert level C PLAT022_ALERT_3_C Ratio Unique / Expected Reflections (too) Low .. 0.936 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.974 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.22 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0068 Ang PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 61 A   3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.123 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 63
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.10 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C61 PLAT793_ALERT_4_G The Model has Chirality at C4 (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 114
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 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 6 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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