[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o171
[ doi:10.1107/S1600536812049719 ]

6-Nitro-1,3-benzothiazole-2(3H)-thione

Q.-M. Qiu, Y.-Z. Cui, Y.-H. Zhao, Q.-H. Jin and C.-L. Zhang


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C2 -C7 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0057 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.452 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 3
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 ............ 1 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 52 Perc.
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 5 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

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