(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1989-o1991 [ doi:10.1107/S1600536804024894 ]

1-[2-Ethoxy-2-(3-methyl-1-benzofuran-2-yl)ethyl]-4-(o-tolyl)piperazin-1-ium chloride

P. Kurfürst, J. Marek, J. Vanco and J. Csöllei

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.002 Å
R factor = 0.033
wR factor = 0.085
Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13B   ..  CL1     ..       2.86 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9     ..  CL1     ..       2.97 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1     ..  CL1     ..       2.96 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H21A   ..  CL1     ..       2.96 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H10B   ..  CL1     ..       2.87 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   0 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion