Acta Cryst. (2005). E61, o559-o560  [ doi:10.1107/S1600536805003028 ]

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

P. Zhong, Z. Yang, Q. Shi, S. Li and R. Tang

Online 5 February 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.005 Å
• R factor = 0.072
• wR factor = 0.215
• Data-to-parameter ratio = 13.3

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT242_ALERT_2_A Check Low       Ueq as Compared to Neighbors for        C19     

Alert level B
PLAT213_ALERT_2_B Atom F2      has ADP max/min Ratio .............       4.20 prolat
PLAT230_ALERT_2_B Hirshfeld Test Diff for    F3     -   C19     ..       7.57 su    

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.09       
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.32       
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6       
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C11    -   C12    ...       1.44 Ang.  
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety         C1     

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

   1 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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