[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o936-o937
[ doi:10.1107/S1600536813013494 ]

3-{[5-(4-Chlorophenyl)-3-methyl-1H-pyrazol-1-yl]methyl}-4-m-tolyl-1H-1,2,4-triazole-5(4H)-thione

M. A. Farrukh, M. Ahmed, S. K. Mohamed, A. A. Marzouk and S. M. El-Moghazy


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 PLAT480_ALERT_4_C Long H...A H-Bond Reported H5 .. C16 .. 2.83 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H6 .. S1 .. 3.00 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H2 .. C2 .. 2.85 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H14 .. CL1 .. 2.98 Ang. PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.354
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.61 mm PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00500 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1
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 5 ALERT level G = General information/check it is not something unexpected 1 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 1 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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