Acta Cryst. (2007). E63, o3895  [ doi:10.1107/S1600536807040846 ]

3-(Bromoacetyl)coumarin: a second P2₁/c modification

H. A. Sparkes and J. A. K. Howard

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.002 Å
• R factor = 0.023
• wR factor = 0.061
• Data-to-parameter ratio = 21.2

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:      0.608     1.000
            Tmin(prime) and Tmax expected:      0.511     0.706
            RR(prime) =      0.840
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.82      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.71      
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br1    ..  O2      ..       3.23 Ang. 

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.706
            Tmax scaled      0.706 Tmin scaled      0.429

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   1 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
   3 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

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