(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o1184-o1186 [ doi:10.1107/S1600536805009414 ]

2-(3-Bromo-1-phenylsulfonyl-1H-indol-2-ylmethylsulfanyl)-6-methyl-1H-benzimidazole

T. Ravishankar, K. Chinnakali, N. Arumugam, P. C. Srinivasan, A. Usman and H.-K. Fun

Online 31 March 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.010 Å
R factor = 0.072
wR factor = 0.219
Data-to-parameter ratio = 14.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.69 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.09 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C19    -   C20     ..       5.20 su    
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         S2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C19     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H20A   ..  CG1     ..       2.96 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H20C   ..  CG2     ..       2.79 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   9 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
   5 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
   2 ALERT type 4 Improvement, methodology, query or suggestion