[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1497
[ doi:10.1107/S1600536813023659 ]

N-p-Tolyl-1,3-selenazolo[5,4-b]pyridin-2-amine

Z. Wu, Y. Li, H. Zhou and M. Zhou


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT341_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0203 Ang. PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 4
Alert level C RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.314 THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5810 PLAT023_ALERT_3_C Resolution (too) Low [sin(theta)/Lambda < 0.6].. 63.60 Deg. PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.963 PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ................... 0.31 PLAT234_ALERT_4_C Large Hirshfeld Difference N10 -- C8 .. 0.17 Ang. PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C11 -C16 1.37 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 11.885 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.530 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.135 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.581 71 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 5 PLAT975_ALERT_2_C Positive Residual Density at 0.93A from N1 . 0.67 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 53.51
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 14 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 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 13 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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