Acta Cryst. (2010). E66, o2726-o2727  [ doi:10.1107/S1600536810039243 ]

2-Cyanoquinolin-1-ium nitrate

W.-S. Loh, M. Hemamalini and H.-K. Fun

Online 9 October 2010

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.045
• wR factor = 0.122
• Data-to-parameter ratio = 16.2

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
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          9      

Alert level G
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C9     -   C10    ...       1.45 Ang. 
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          1      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 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
   0 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

Copyright © International Union of Crystallography
IUCr Webmaster