[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o802-o803
[ doi:10.1107/S1600536813011185 ]

3,3'-({4-[(4,5-Dicyano-1H-imidazol-2-yl)diazenyl]phenyl}imino)dipropionic acid

R. Centore, V. Piccialli and A. Tuzi


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low .... 30 Perc.
Alert level C PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0076 Ang PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -17.360 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -4.128 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.116
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 C14 - C16 ... 1.41 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C15 - C17 ... 1.43 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 42 N4 -C14 -C16 -N7 -92.00 19.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 43 C15 -C14 -C16 -N7 85.00 19.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 44 N5 -C15 -C17 -N6 -143.00 8.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 45 C14 -C15 -C17 -N6 35.00 9.00 1.555 1.555 1.555 1.555
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 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 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 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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