[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o32
[ doi:10.1107/S1600536812049458 ]

4,6-Dimethylpyrimidin-2-amine

W.-W. Fu, Y. Liu, G. Huang and X.-M. Zhu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B DIFMX01_ALERT_2_B The maximum difference density is > 0.1*ZMAX*1.00 _refine_diff_density_max given = 1.081 Test value = 0.700 PLAT094_ALERT_2_B Ratio of Maximum / Minimum Residual Density .... 6.84 PLAT097_ALERT_2_B Large Reported Max. (Positive) Residual Density 1.08 eA-3
Alert level C DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0041 Ang PLAT413_ALERT_2_C Short Inter XH3 .. XHn H5A .. H17A .. 2.10 Ang. PLAT413_ALERT_2_C Short Inter XH3 .. XHn H6A .. H11A .. 2.13 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.194 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 21
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 6 PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 5.41 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C6 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C11 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C12 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C17 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C18 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 6 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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