Crystal structure and Hirshfeld analysis of 3′-bromo-4-methyl­chalcone and 3′-cyano-4-methyl­chalcone

Battaglia, Z.O.; Kersten, J.T.; Nicol, E.M.; Whitworth, P.; Wheeler, K.A.; Hall, C.L.; Potticary, J.; Hamilton, V.; Hall, S.R.; D'Ambruoso, G.D.; Matsumoto, M.; Warren, S.D.; Cremeens, M.E.

doi:10.1107/S2056989020011135

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 8
Selected packing displays for m′CNpCH₃ (left) and m′BrpCH₃ (right) showing identical lateral interactions for C16—N1⋯H7 and the Br1⋯Br1 type I halogen bond (top), as well as the stacking interactions N1⋯H17A, C11⋯H8, C7⋯H11, and Br1⋯H16A (bottom). The symmetry codes apply to those molecules interacting with the asymmetric unit. Additional N1⋯H7 and Br1⋯Br1 interactions are included to serve as a visual aid. Symmetry codes for m′CNpCH₃: (i) 1 − x, 1 − y, 1 − z; (ii) −x, − $[{1\over 2}]$ + y, $[{1\over 2}]$ − z; (iii) −x, 1 − y, 1 − z; (iv) −x, −y, 1 - z. Symmetry codes for m′BrpCH₃: (i) 1 − x, 1 − y, 1 − z; (ii) 1 − x, 2 − y, 1 − z; (iii) −x, 2 − y, 1 − z; (iv) 2 − x, 2 − y, −z.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 76| Part 9| September 2020| Pages 1496-1502

https://doi.org/10.1107/S2056989020011135

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