Acta Cryst. (2005). E61, o3639-o3641  [ doi:10.1107/S1600536805031752 ]

(E)-3-(4-Chlorophenyl)-2-(2-thienyl)acrylonitrile: chains built from C-HN hydrogen bonds

D. Cobo, J. Quiroga, J. Cobo, J. N. Low and C. Glidewell

Online 12 October 2005

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.003 Å
• Disorder in main residue
• R factor = 0.039
• wR factor = 0.094
• Data-to-parameter ratio = 17.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT301_ALERT_3_C Main Residue  Disorder .........................      20.00 Perc. 
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C1     -   C2     ...       1.45 Ang.  

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

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