(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o2820-o2821 [ doi:10.1107/S1600536810040614 ]

(2-Hydroxy-7-methoxynaphthalen-1-yl)(4-methylphenyl)methanone

A. Nagasawa, R. Mitsui, A. Okamoto and N. Yonezawa

Online 20 October 2010

Key indicators

Single-crystal X-ray study
T = 193 K
Mean (C-C) = 0.002 Å
R factor = 0.038
wR factor = 0.106
Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O3     ..  O3      ..       2.71 Ang.

Author Response: The intermolecular O1---H1...O3\\db C11 hydrogen bond formed by the hydroxy group and the carbonyl oxygen results in the formation of a ring forcing the O atoms to be rather closed.


Alert level C
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........        CT1     
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........        CT1     
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........        CT2     
PLAT922_ALERT_1_C wR2 * 100.0 in the CIF and FCF Differ by .......      -0.13      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   4 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
   0 ALERT type 5 Informative message, check