[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o508
[ doi:10.1107/S1600536813005862 ]

5-Iodo-3-phenyl-2,1-benzoxazole

Y. Teslenko, V. S. Matiychuk, V. Kinzhybalo, T. Lis and M. D. Obushak


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT481_ALERT_4_A Long D...A H-Bond Reported C4A .. CG .. 5.64 Ang.
Author Response: It is not a hydrogen bond but C-I-/pi interaction.
PLAT481_ALERT_4_A Long D...A H-Bond Reported C4B    ..  O1A     ..       5.32 Ang. 
Author Response: It is not a hydrogen bond but C-I-/pi interaction.
PLAT776_ALERT_1_A Suspect D-H Dist in CIF:   C4A    --  I1A     ..       2.10 Ang. 
Author Response: It is not a hydrogen bond but C-I-/pi interaction.
PLAT776_ALERT_1_A Suspect D-H Dist in CIF:   C4B    --  I1B     ..       2.10 Ang. 
Author Response: It is not a hydrogen bond but C-I-/pi interaction.

Alert level B PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 35 Perc.
Alert level C PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0081 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT975_ALERT_2_C Positive Residual Density at 1.07A from O1B . 0.70 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT431_ALERT_2_G Short Inter HL..A Contact I1B .. O1A . 3.34 Ang. PLAT850_ALERT_4_G Check Flack Parameter Exact Value 0.00 and su .. 0.03 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 602
4 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 2 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 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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