[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o767
[ doi:10.1107/S1600536813008891 ]

1-(2,3-Dicyanophenyl)pyridin-1-ium-4-olate monohydrate

Z. Han, Y. Zhu, X. Tian and S. Feng


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 -- C7 .. 6.2 su PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.718 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 8 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C2 - C7 ... 1.44 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C3 - C8 ... 1.44 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19 C1 -C2 -C7 -N1 140.00 7.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 20 C3 -C2 -C7 -N1 -36.00 7.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21 C4 -C3 -C8 -N2 -9.00 28.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 22 C2 -C3 -C8 -N2 17.00 0.00 1.555 1.555 1.555 1.555 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 2 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 3 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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