Acta Cryst. (2003). E59, o1469-o1470  [ doi:10.1107/S160053680301938X ]

1-(2,4-Dihydroxy-3,5-dimethylphenyl)-ethanone (Clavatol)

S.-Y. Li, J.-F. Wang, Z.-H. Zheng, Q.-Y. Xu, Y.-J. Huang, Y.-F. Zhao and W.-J. Su

Online 11 September 2003

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.002 Å
• R factor = 0.052
• wR factor = 0.155
• Data-to-parameter ratio = 16.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor ....       2.57       
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C10     

   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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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