Coupling between 2-pyridyl­selenyl chloride and phenyl­seleno­cyanate: synthesis, crystal structure and non-covalent inter­actions

Temesgen, A.W.; Tskhovrebov, A.G.; Artemjev, A.A.; Kubasov, A.S.; Novikov, A.S.; Borisov, A.V.; Kirichuk, A.A.; Kritchenkov, A.S.; Le, T.A.

doi:10.1107/S2056989024008831

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 4
Contour line diagram of the Laplacian of the electron-density distribution Ñ²r(r), bond paths, and selected zero-flux surfaces (left panel), visualization of the electron localization function (ELF, center panel) and reduced density gradient (RDG, right panel) analyses for chalcogen bonding Se2⋯Se1ⁱ [3.9426 (18) Å; symmetry code: (i) x, $[{3\over 2}]$ − y, $[{1\over 2}]$ + z], Se2⋯Cl1^–ii [3.229 (2) Å; symmetry code: (ii) −x, $[{1\over 2}]$ + y, $[{1\over 2}]$ − z] and Se1⋯Cl1^–iii [3.3805 (19) Å; symmetry code: (iii) −x, 1 − y, −z] in the crystal structure. Bond critical points (3, −1) are shown in blue, nuclear critical points (3, −3) in pale brown, ring critical points (3, +1) in orange, bond paths are shown as pale brown lines, length units in Å, and the color scale for the ELF and RDG maps is presented in a.u.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 80| Part 10| October 2024| Pages 1024-1028

https://doi.org/10.1107/S2056989024008831

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