[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o227-o228
[ doi:10.1107/S1600536813000123 ]

N-(5-Amino-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide

J. Hernández-Gil, S. Ferrer, R. Ballesteros and A. Castiñeiras


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.1 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0044 Ang
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 27.49 From the CIF: _reflns_number_total 1407 From the CIF: _diffrn_reflns_limit_ max hkl 12. 8. 27. From the CIF: _diffrn_reflns_limit_ min hkl -12. -8. -28. TEST1: Expected hkl limits for theta max Calculated maximum hkl 12. 12. 28. Calculated minimum hkl -12. -12. -28. PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT152_ALERT_1_G The Supplied and Calc. Volume s.1. Differ by ... 3 Units PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 2 PLAT951_ALERT_5_G Reported and Calculated Kmax Values Differ by .. 4
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 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 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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