Acta Cryst. (2005). E61, o1170-o1172  [ doi:10.1107/S1600536805009190 ]

2-Bromobenzophenone

V. N. Baumer, R. V. Romashkin, M. A. Strzhemechny, A. A. Avdeenko, O. S. Pyshkin, R. I. Zubatyuk and L. M. Buravtseva

Online 30 March 2005

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.006 Å
• R factor = 0.038
• wR factor = 0.064
• Data-to-parameter ratio = 14.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O1     -   C1      ..       7.16 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C1B    -   C2B     ..       9.40 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C3B    -   C4B     ..       8.29 su    

Alert level C
ABSTY02_ALERT_1_C  An _exptl_absorpt_correction_type has been given without
            a literature citation. This should be contained in the
            _exptl_absorpt_process_details field.
            Absorption correction given as integration
PLAT128_ALERT_4_C Non-standard setting of Space group P21/c   ....    P21/a         
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C1B    -   C6B     ..       5.82 su    
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.03       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H6A    ..  O1      ..       2.71 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4A    ..  CG2     ..       2.96 Ang.  

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

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

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