[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o155-o156
[ doi:10.1107/S1600536812051276 ]

3-Benzyl-4-ethyl-1H-1,2,4-triazole-5(4H)-thione

Z. Karczmarzyk, M. Pitucha, W. Wysocki, A. Pachuta-Stec and A. Stanczuk


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C9
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 42 Perc. PLAT230_ALERT_2_C Hirshfeld Test Diff for C10 -- C15A .. 5.2 su PLAT234_ALERT_4_C Large Hirshfeld Difference C10 -- C11B .. 0.24 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C10 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -41.250 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -5.079 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.850 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.185 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C12B PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 33 Perc. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 6 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 12 PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ... 7
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 9 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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