Crystal structure, Hirshfeld surface analysis, DFT optimized mol­ecular structure and the mol­ecular docking studies of 1-[2-(cyano­sulfan­yl)acet­yl]-3-methyl-2,6-bis­(4-methyl­phen­yl)piperidin-4-one

Karthiga, A.R.; Divyabharathi, S.; Shalo, R.R.; Rajeswari, K.; Vidhyasagar, T.; Selvanayagam, S.

doi:10.1107/S2056989024008508

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 6
Two-dimensional fingerprint plots for the compound (I)

, showing (a) all interactions, and delineated into (b) H⋯H, (c) O⋯H/H⋯O, (d) C⋯H/H⋯C, (e) N⋯H/H⋯N and (f) S⋯H/H⋯S interactions. The d_i and d_e values are the closest internal and external distances (in Å) from given points on the Hirshfeld surface.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 80| Part 10| October 2024| Pages 1014-1019

https://doi.org/10.1107/S2056989024008508

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