[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o414-o415
[ doi:10.1107/S1600536813004492 ]

3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

B. F. Abdel-Wahab, H. A. Mohamed, S. W. Ng and E. R. T. Tiekink


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT482_ALERT_4_B Small D-H..A Angle Rep for C4 .. CG1 .. 86.17 Deg.
Author Response: This Cl...pi interaction is discussed in the submission
PLAT776_ALERT_1_B Suspect D-H Dist in CIF:   C4     --  CL1     ..       1.74 Ang. 
Author Response: This Cl...pi interaction is discussed in the submission

Alert level C PLAT481_ALERT_4_C Long D...A H-Bond Reported C4 .. CG1 .. 4.18 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2
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 ............ 2 PLAT793_ALERT_4_G The Model has Chirality at C9 (Verify) .... R
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 2 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 1 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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