[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o735
[ doi:10.1107/S1600536813010039 ]

2-[3-(4-Bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazole

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 PLAT481_ALERT_4_B Long D...A H-Bond Reported C22 .. CG1 .. 5.26 Ang. PLAT776_ALERT_1_B Suspect D-H Dist in CIF: C22 -- BR1 .. 1.90 Ang.
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 47 Perc. PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0103 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.595 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 64 Perc.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT093_ALERT_1_G No su's on H-positions, refinement reported as . mixed PLAT791_ALERT_4_G Note: The Model has Chirality at C4 (Verify) S
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 5 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 2 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 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster