[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o259
[ doi:10.1107/S1600536813000780 ]

2-(Acetoxymethyl)benzoic acid

G. J. Gainsford and R. Schwörer


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.956
Author Response: A total of 25 reflections of the 1661 expected below the Acta limit are missing: 4 were affected by backstop scatter, and the remainder were either omitted or not collected as described in the experimental section.

Alert level C PLAT411_ALERT_2_C Short Inter H...H Contact H6 .. H6 .. 2.12 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H8A .. O2 .. 2.67 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 21 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 56
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 ALERT level G = General information/check it is not something unexpected 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 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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