[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3192
[ doi:10.1107/S1600536812043218 ]

2-(4-Fluorophenyl)-5-iodo-3-isopropylsulfonyl-1-benzofuran

H. D. Choi, P. J. Seo and U. Lee


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT213_ALERT_2_C Atom F1 has ADP max/min Ratio ..... 3.3 prola
Author Response: : Splitting was considered unfeasible.
PLAT431_ALERT_2_C Short Inter HL..A  Contact  I1     ..  O2      .       3.36 Ang. 
Author Response: : This is a donor-acceptor interaction (halogen bond).
PLAT431_ALERT_2_C Short Inter HL..A  Contact  I2     ..  O3      .       3.24 Ang. 
Author Response: : This is a donor-acceptor interaction (halogen bond).
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         19      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          5      

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 68 O3 -I2 -C21 -C20 -30.80 0.50 2.765 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 69 O3 -I2 -C21 -C22 150.30 0.30 2.765 1.555 1.555 1.555 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 8
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 1 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 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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