(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o988-o989 [ doi:10.1107/S1600536801015768 ]

N,N'-Bis(4-cyanopyridylidene)benzil dihydrazone

G. K. Patra and I. Goldberg

Online 29 September 2001

Key indicators

Single-crystal X-ray study
T = 110 K
Mean (C-C) = 0.003 Å
R factor = 0.056
wR factor = 0.154
Data-to-parameter ratio = 17.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.89                 
         From the CIF: _reflns_number_total               5553                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         5907                           
         Completeness (_total/calc)             94.01%                          
          Alert C: < 95% complete                                               

PLAT_371  Alert C Long   C(sp2)-C(sp1) Bond  C(23)  -   C(35)  =       1.44 Ang.

PLAT_371  Alert C Long   C(sp2)-C(sp1) Bond  C(30)  -   C(33)  =       1.45 Ang.

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     61
                   C31 -C30 -C33 -N34   -17.00 17.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     62
                   C29 -C30 -C33 -N34   163.00 17.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     63
                   C22 -C23 -C35 -N36   123.00  5.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     64
                   C24 -C23 -C35 -N36   -56.00  5.00   1.555   1.555   1.555   1.555


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 7 Alert Level C = Please check