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Acta Cryst. (2012). E68, o104  [ doi:10.1107/S1600536811052743 ]

2-Chloro-N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}acetamide

J. Zhang, Q. He, Q. Jiang, H. Mu and R. Wan

Online 14 December 2011


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Alert level C PLAT213_ALERT_2_C Atom F1 has ADP max/min Ratio ..... 3.2 prola PLAT213_ALERT_2_C Atom F2' has ADP max/min Ratio ..... 3.8 prola PLAT213_ALERT_2_C Atom F3' has ADP max/min Ratio ..... 3.8 prola PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C12 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.1 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0051 Ang PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 6 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 13 Perc. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C8 - C11 ... 1.44 Ang. PLAT431_ALERT_2_G Short Inter HL..A Contact Cl2 .. Cl2 .. 3.26 Ang. PLAT432_ALERT_2_G Short Inter X...Y Contact C2 .. F3' .. 2.95 Ang.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 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

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