Acta Cryst. (2006). E62, o5383-o5385  [ doi:10.1107/S1600536806044990 ]

5-Amino-1-(2-chloronicotinoyl)-3-trifluoromethyl-1H-1,2,4-triazole: hydrogen-bonded sheets of alternating R₂²(8) and R₆⁶(36) rings

J. L. Wardell, J. N. Low and C. Glidewell

Online 3 November 2006

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.003 Å
• R factor = 0.040
• wR factor = 0.094
• Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl22   ..  O27     ..       3.17 Ang. 

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

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