(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o527-o529 [ doi:10.1107/S1600536804004623 ]

Hydrogen bonding in 2-phenylimidazoline

R. T. Stibrany, H. J. Schugar and J. A. Potenza

Online 13 March 2004

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.004 Å
R factor = 0.051
wR factor = 0.158
Data-to-parameter ratio = 11.4

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.876     1.000
            Tmin' and Tmax expected:      0.973     0.991
            RR' =      0.893
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.89       
PLAT351_ALERT_3_C Long    C-H Bond (0.96A)   C34    -   H34A   ...       1.14 Ang.  

   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
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion