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Acta Cryst. (2013). E69, o1083-o1084  [ doi:10.1107/S1600536813014840 ]

4-{5-[(2-Bromobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid

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


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B Crystal system given = monoclinic PLAT481_ALERT_4_B Long D...A H-Bond Reported C1 .. CG1 .. 4.53 Ang. PLAT481_ALERT_4_B Long D...A H-Bond Reported C11 .. CG2 .. 4.89 Ang. PLAT776_ALERT_1_B Suspect D-H Dist in CIF: C11 -- BR1 .. 1.90 Ang.
Alert level C PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 75 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 59
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 1 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 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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