(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o2594-o2595 [ doi:10.1107/S1600536810035646 ]

(E)-3-(4-Chlorophenyl)-3-[3-(4-chlorophenyl)-1H-pyrazol-1-yl]prop-2-enal

V. Susindran, S. Athimoolam, S. A. Bahadur, R. Manikannan and S. Muthusubramanian

Online 18 September 2010

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.040
wR factor = 0.116
Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         14      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13    ..  CL2     ..       2.93 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H36    ..  CL1     ..       2.90 Ang. 
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         22      

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    

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

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