(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o530 [ doi:10.1107/S1600536810003557 ]

N-(Cyanomethyl)benzamide

Y. Aouine, A. Alami, A. El Hallaoui, A. Elachqar and H. Zouihri

Online 6 February 2010

Key indicators

Single-crystal X-ray study
T = 296 K, P = 0.0 kPa
Mean (C-C) = 0.002 Å
R factor = 0.038
wR factor = 0.109
Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C8     --  C9      ..       5.16 su   
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         11      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check