[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o644
[ doi:10.1107/S1600536813008398 ]

1-(2H-1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone

A. B. de Oliveira, R. L. de Farias, C. Näther, I. Jess and L. Bresolin


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- C1 .. 6.0 su PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.4 PLAT480_ALERT_4_C Long H...A H-Bond Reported H1N1 .. O1 .. 2.66 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 29 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 5
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 3 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 3 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 2
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 4 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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