[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2009). E65, o602  [ doi:10.1107/S1600536809006199 ]

2-Hydroxyethyl 2-(2,4-dichloroanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate

E. S. H. El Ashry, M. R. Amer, M. R. Shah and S. W. Ng

Online 25 February 2009

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C Value of measurement temperature given = 100.000 Value of melting point given = 0.000 DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 1.479 Test value = 1.275 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.01 PLAT097_ALERT_2_C Maximum (Positive) Residual Density ............ 1.48 eA-3 PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) 20 Ang.
Alert level G PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster