[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o618
[ doi:10.1107/S1600536813008179 ]

4-[5-(4-Fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole

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


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 46 Perc. PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 3.000 Sigma PLAT230_ALERT_2_C Hirshfeld Test Diff for C5 -- C6 .. 6.3 su PLAT234_ALERT_4_C Large Hirshfeld Difference C16 -- C17 .. 0.17 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C15 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C16 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C25 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C13 -C18 1.36 Ang. PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C22 -C27 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0059 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 10.503 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.049 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6
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 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT793_ALERT_4_G The Model has Chirality at C10 (Verify) .... S
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 14 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 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 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 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster