[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1643-o1644
[ doi:10.1107/S1600536813027475 ]

N,N'-Bis(2-amino­benz­yl)ethane-1,2-diaminium dinitrate

L. Á. Garza Rodríguez, P. Elizondo Martínez, S. Bernès, B. Nájera Martínez and N. Pérez Rodríguez


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B Crystal system given = orthorhombic PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0121 Ang. PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 39 %
Alert level C PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ........ 6.47 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of N21 Check PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of N25 Check PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1A ... Please Check PLAT420_ALERT_2_C D-H Without Acceptor N20 - H20A ... Please Check PLAT731_ALERT_1_C Bond Calc 0.88(8), Rep 0.89(2) ...... 4 su-Rat N1 -H1A 1.555 1.555 # 2 PLAT731_ALERT_1_C Bond Calc 0.90(7), Rep 0.90(2) ...... 4 su-Rat N1 -H1B 1.555 1.555 # 3 PLAT731_ALERT_1_C Bond Calc 0.95(5), Rep 0.95(2) ...... 3 su-Rat N9 -H9B 1.555 1.555 # 20 PLAT731_ALERT_1_C Bond Calc 0.91(5), Rep 0.91(2) ...... 3 su-Rat N12 -H12B 1.555 1.555 # 29 PLAT731_ALERT_1_C Bond Calc 0.91(6), Rep 0.91(2) ...... 3 su-Rat N20 -H20A 1.555 1.555 # 44 PLAT731_ALERT_1_C Bond Calc 0.91(7), Rep 0.91(2) ...... 4 su-Rat N20 -H20B 1.555 1.555 # 45 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 13 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ?
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 12 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 6 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 6 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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