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

[Contents scheme]

Acta Cryst. (2014). E70, o48-o49  [ doi:10.1107/S1600536813033370 ]

4-Amino-3-(4-hy­droxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione

B. K. Sarojini, P. S. Manjula, M. Kaur, B. J. Anderson and J. P. Jasinski


Key indicators

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level B Crystal system given = triclinic PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 15 %
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.2 Ratio PLAT245_ALERT_2_C U(iso) H4B Smaller than U(eq) N4 by ... 0.014 AngSq PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 2 Why ? PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 207
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 3 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster