(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o1085-o1087 [ doi:10.1107/S1600536802015970 ]

Benzimidazolium 2-chloro-4-nitrobenzoate

H. Ishida, T. Fukunaga and S. Kashino

Online 13 September 2002

Key indicators

Single-crystal X-ray study
T = 300 K
Mean (C-C) = 0.004 Å
R factor = 0.048
wR factor = 0.134
Data-to-parameter ratio = 15.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



PLAT_353  Alert B Long  N-H Bond (0.87A)     N(2)   -   H(4)   =       1.09 Ang.

Author response: The N...O distance, 2.610(3) \%A, in the N2---H4...O2 hydrogen bond is significantly shorter than the average N...O distance of 2.878(3) \%A in the N---H...O\\db C hydrogen bond (Taylor et al. 1984), which might elongate the N2---H4 bond length, 1.09(3) \%A.


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 0 Alert Level C = Please check