(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, o277 [ doi:10.1107/S1600536809000117 ]

N-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphthyl)-4-fluoro-N-(4-fluorobenzoyl)benzamide

E. S. Akinboye, R. J. Butcher, D. A. Wright, Y. Brandy and O. Bakare

Online 10 January 2009

Key indicators

Single-crystal X-ray study
T = 200 K
Mean (C-C) = 0.007 Å
R factor = 0.056
wR factor = 0.158
Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT431_ALERT_2_B Short Inter HL..A Contact  Br     ..  O1B     ..       2.98 Ang. 

Alert level C
            Value of measurement temperature given =   200.000
            Value of melting point given =     0.000
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT083_ALERT_2_C SHELXL Second Parameter in WGHT unusually Large.       7.00      
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.54      
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          7      

Alert level G
PLAT335_ALERT_2_G Check Large C6 Ring C-C Range .  C1     -C10           0.16 Ang. 
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          8      

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   4 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
   4 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check