[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3254
[ doi:10.1107/S1600536812044340 ]

(±)-1-(1-Allyl-1H-benzimidazol-2-yl)ethanol

D.-P. Li, M. Li, S. Li and H.-N. Hu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0070 Ang PLAT414_ALERT_2_C Short Intra D-H..H-X H2B .. H20A .. 1.98 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.647 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 17
Alert level G REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to determine absolute structure in a light-atom study EXCEPT under VERY special conditions. It is preferred that Friedel data is merged in such cases. From the CIF: _diffrn_reflns_theta_max 26.00 From the CIF: _reflns_number_total 8368 Count of symmetry unique reflns 4431 Completeness (_total/calc) 188.85% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3937 Fraction of Friedel pairs measured 0.889 Are heavy atom types Z>Si present no PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT194_ALERT_1_G Missing _cell_measurement_reflns_used datum .... ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT791_ALERT_4_G Note: The Model has Chirality at C8 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C20 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C32 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C44 (Verify) R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
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 13 ALERT level G = General information/check it is not something unexpected 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 4 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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