[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o759
[ doi:10.1107/S160053681300980X ]

2-({1-[2-(Methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetic acid

A. C. Mafud, Y. P. Mascarenhas and A. S. Nascimento


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 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 ...... 2.186 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 8 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 53 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 38
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 5
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 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 5 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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