(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2241-o2242 [ doi:10.1107/S1600536805019161 ]

3-Benzyloxy-6-fluoropyridazine

F.-Z. Hu, M. Zhang, H.-B. Song, X.-M. Zou and H.-Z. Yang

Online 24 June 2005

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.007 Å
R factor = 0.053
wR factor = 0.162
Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         43 Perc. 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C16     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C17     
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C6     -C11           1.37 Ang.  
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C17    -C22           1.37 Ang.  
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H20    ..  CG1     ..       3.07 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 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
   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