(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o994-o996 [ doi:10.1107/S1600536802014046 ]

Dimethyl 2,2'-(4,5-dicyano-o-phenylenedithio)diacetate

U. Çoruh, N. Akdemir, E. Agar, Y. Kim and A. Erdönmez

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.046
wR factor = 0.134
Data-to-parameter ratio = 14.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_371  Alert C Long   C(sp2)-C(sp1) Bond  C(6)   -   C(13)  =       1.44 Ang.

PLAT_371  Alert C Long   C(sp2)-C(sp1) Bond  C(7)   -   C(14)  =       1.43 Ang.

PLAT_725  Alert C D-H     Calc     0.96992, Rep     0.98000, Dev.      0.01 Ang.
                     C3   -H3B     1.555   1.555

PLAT_747  Alert C D...A   Calc    3.321(4), Rep     3.32000 ....    Missing s.u.
                     C10  -O2      1.555   2.655

PLAT_747  Alert C D...A   Calc    3.137(5), Rep     3.14000 ....    Missing s.u.
                     C8   -O4      1.555   1.545

PLAT_747  Alert C D...A   Calc    3.410(5), Rep     3.41000 ....    Missing s.u.
                     C10  -O4      1.555   1.545

PLAT_747  Alert C D...A   Calc    3.424(4), Rep     3.42000 ....    Missing s.u.
                     C5   -N1      1.555   3.646

PLAT_747  Alert C D...A   Calc    3.342(4), Rep     3.34000 ....    Missing s.u.
                     C3   -O2      1.555   1.565


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 8 Alert Level C = Please check