A heuristic approach to evaluate peri interactions versus intermolecular interactions in an overcrowded naphthalene

Sarkar, S.; Row, T.N.G.

doi:10.1107/S205225251601808X

Figure 13
(a)–(b) Molecular conformations from crystal geometry T1° and T2°. (c)–(d) Molecular conformations showing the value of ϕ₂ in a starting geometry (T1) and optimized geometry (T1′). (e)–(f) Molecular conformations showing the value of ϕ₂ in the starting geometry (T2) and optimized geometry (T2′).

IUCrJ

Volume 4| Part 1| January 2017| Pages 37-49

ISSN: 2052-2525

https://doi.org/10.1107/S205225251601808X

CHEMISTRY | CRYSTENG

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