[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3240-o3241
[ doi:10.1107/S1600536812043802 ]

3-[(R)-1-Hydroxybutan-2-yl]-1,2,3-benzotriazin-4(3H)-one

F. Rocha-Alonzo, D. Morales-Morales, S. Hernández-Ortega, R. Reyes-Martínez and M. Parra-Hake


Key indicators

checkCIF/PLATON results

No syntax errors found




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 25.37 From the CIF: _reflns_number_total 2000 Count of symmetry unique reflns 1174 Completeness (_total/calc) 170.36% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 826 Fraction of Friedel pairs measured 0.704 Are heavy atom types Z>Si present no PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT791_ALERT_4_G Note: The Model has Chirality at C9 (Verify) R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 0 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 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 1 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

Copyright © International Union of Crystallography
IUCr Webmaster