Acta Cryst. (2010). E66, o60  [ doi:10.1107/S1600536809051253 ]

3-Amino-1-methylpyrazin-1-ium iodide

D. Foucher, S. Wylie, D. H. Macartney and A. J. Lough

Online 4 December 2009

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.009 Å
• R factor = 0.037
• wR factor = 0.088
• Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found




Alert level C
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          9      
PLAT432_ALERT_2_C Short Inter X...Y Contact  I1     ..  C5      ..       3.45 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          7      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          8      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          2      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      
PLAT128_ALERT_4_G Non-standard setting of Space-group P21/c   ....      P21/n      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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