Acta Cryst. (2005). E61, o2134-o2135  [ doi:10.1107/S160053680501812X ]

1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenylsulfonamido)-1H-pyrazole-3-carbonitrile

X.-H. Zhang, P. Zhong, H.-P. Xiao and M.-L. Hu

Online 17 June 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.007 Å
• R factor = 0.078
• wR factor = 0.196
• Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT242_ALERT_2_A Check Low       Ueq as Compared to Neighbors for         C1     

Alert level C
PLAT213_ALERT_2_C Atom F1      has ADP max/min Ratio .............       3.90 prolat
PLAT213_ALERT_2_C Atom F2      has ADP max/min Ratio .............       3.50 prolat
PLAT213_ALERT_2_C Atom F3      has ADP max/min Ratio .............       3.30 prolat
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.13       
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C10    -   C11    ...       1.45 Ang.  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         44     
            N2  -C10 -C11 -N3   -152.00 13.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         45     
            C9  -C10 -C11 -N3     28.00 13.00   1.555   1.555   1.555   1.555   

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
   2 ALERT type 4 Improvement, methodology, query or suggestion

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