[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1846
[ doi:10.1107/S1600536813031899 ]

1-(4-Methyl­phenyl­sulfon­yl)-2-{[3-methyl-4-(2,2,2-tri­fluoro­eth­oxy)pyridin-2-yl]methyl­sulfan­yl}-1H-1,3-benzimidazole

C. M. Shivaprasad, S. M. Kumar, T. R. Swaroop, K. S. Rangappa and N. K. Lokanath


Key indicators

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5844 PLAT023_ALERT_3_C Resolution (too) Low [sin(theta)/Lambda < 0.6].. 64.29 Deg. PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.970 PLAT213_ALERT_2_C Atom F2 has ADP max/min Ratio ..... 3.1 prolat PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C15 Check PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 51 Ang3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.584 106 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2 PLAT934_ALERT_3_C Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 1 Check
Alert level G PLAT242_ALERT_2_G Low Ueq as Compared to Neighbors for ..... C16 Check PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 73 %
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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