Acta Cryst. (2005). E61, o841-o842  [ doi:10.1107/S1600536805006112 ]

N-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-4-nitrobenzamide ethanol solvate

P. Zhong, Z. Yang and Q. Shi

Online 4 March 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.005 Å
• R factor = 0.055
• wR factor = 0.167
• Data-to-parameter ratio = 12.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT242_ALERT_2_A Check Low       Ueq as Compared to Neighbors for        C18     

Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H2B    ..  H4A     ..       1.96 Ang.  
PLAT420_ALERT_2_B D-H Without Acceptor       O4     -   H4A    ...          ?       

Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1     

PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C10    -   C11    ...       1.44 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4A    ..  CL2     ..       2.86 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H19B   ..  O2      ..       2.63 Ang.  

   1 ALERT level A = In general: serious problem
   2 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
   5 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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