[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o304
[ doi:10.1107/S1600536813001116 ]

3-{5-Ethoxycarbonyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-benzimidazol-2-yl}benzoic acid

Y. K. Yoon, M. A. Ali, S. C. Tan, M. M. Rosli and I. A. Razak


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.0 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 5.2 Ratio PLAT355_ALERT_3_C Long O-H Bond (0.82A) O2 - H1O2 ... 1.04 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 12.448 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.508 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 8
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 6 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 9 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 112 O1X -C22 -O1 1.555 1.555 1.555 20.70 Deg. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 69 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 36
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 0 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 8 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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