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

[Contents scheme]

Acta Cryst. (2013). E69, o1315  [ doi:10.1107/S1600536813019831 ]

2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-N-methylhydrazinecarbothioamide

B. J. Anderson, M. B. Freedman, S. P. Millikan and J. P. Jasinski


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 1.212 Test value = 1.200 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 .... 2.61 PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 1.21 eA-3 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0041 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.740 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.370 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3 PLAT976_ALERT_2_C Negative Residual Density at 0.58A from O1 . -0.52 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 1.06A from N3 . -0.46 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 3 PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 360
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 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 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster