Acta Cryst. (2005). E61, o1456-o1458  [ doi:10.1107/S1600536805011943 ]

4-Chloro-3-nitrocoumarin: an unusual non-bonding C-ClO=C interaction

I. Fujii, Y. Mano and N. Hirayama

Online 27 April 2005

Key indicators

• Single-crystal X-ray study
• T = 297 K
• Mean (C-C) = 0.003 Å
• R factor = 0.047
• wR factor = 0.198
• Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N3     
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl4    ..  O2      ..       2.98 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
   2 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

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