Acta Cryst. (2005). E61, o926-o927  [ doi:10.1107/S1600536805006872 ]

4-Acetylpyridinium chloride

A. Kochel

Online 11 March 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.005 Å
• R factor = 0.073
• wR factor = 0.179
• Data-to-parameter ratio = 18.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  O      ..  C6      ..       2.91 Ang.  

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.145
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.14       
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       
PLAT353_ALERT_3_C Long    N-H Bond (0.87A)   N      -   H1     ...       1.04 Ang.  
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C7 H8 N O                                                         

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

   0 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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