Acta Cryst. (2006). E62, o3056-o3058  [ doi:10.1107/S1600536806023518 ]

4-Bromo--(2-oxoquinolin-4-yloxy)cinnamonitrile: a three-dimensional framework structure built from N-HO and C-HO hydrogen bonds, and bromo-carbonyl and aromatic - stacking interactions

S. Cruz, J. M. de la Torre, J. Cobo, J. N. Low and C. Glidewell

Online 28 June 2006

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.003 Å
• R factor = 0.032
• wR factor = 0.080
• Data-to-parameter ratio = 16.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.70 mm    
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C18    -   C19    ...       1.43 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br14   ..  O2      ..       3.08 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  Br14   ..  C2      ..       3.33 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 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
   3 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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