(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o1081-o1083 [ doi:10.1107/S1600536806005162 ]

1-(4-Chlorobenzoyl)-2-(1H-1,2,4-triazol-1-yl)ethyl morpholine-4-carbodithioate

Z.-Y. Wang, J. Wan, X.-M. Li, C.-L. Li and S.-S. Zhang

Online 22 February 2006

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.043
wR factor = 0.108
Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13A   ..  CG1     ..       2.89 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

   2 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
   1 ALERT type 4 Improvement, methodology, query or suggestion