(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o1452-o1454 [ doi:10.1107/S1600536802019931 ]

6-(4-Chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-(pyrrolidin-1-yl)nicotinonitrile

S. Thinagar, D. Velmurugan, S. Shanmuga Sundara Raj, H.-K. Fun and V. Raghukumar

Online 30 November 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.054
wR factor = 0.160
Data-to-parameter ratio = 18.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.31                 
         From the CIF: _reflns_number_total               9579                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns        10436                           
         Completeness (_total/calc)             91.79%                          
          Alert C: < 95% complete                                               

PLAT_360  Alert C Short  C(sp3)-C(sp3) Bond  C(8B)  -   C(9B)  =       1.42 Ang.

PLAT_371  Alert C Long   C(sp2)-C(sp1) Bond  C(3A)  -   C(11A) =       1.43 Ang.

PLAT_371  Alert C Long   C(sp2)-C(sp1) Bond  C(3B)  -   C(11B) =       1.44 Ang.


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 4 Alert Level C = Please check