Acta Cryst. (2005). E61, o908-o909  [ doi:10.1107/S1600536805006707 ]

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

X. Zhang, Z. Yang, P. Zhong and M. Hu

Online 11 March 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.007 Å
• R factor = 0.090
• wR factor = 0.211
• Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         C1     

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT213_ALERT_2_C Atom F2      has ADP max/min Ratio .............       3.60 prolat
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.41       
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    ...       1.43 Ang.  

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   5 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
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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