Water-mediated inter­molecular inter­actions in 1,2-O-cyclo­hexyl­idene-myo-inositol: a qu­anti­tative analysis

Purushothaman, G.; Juvale, K.; Kirubakaran, S.; Vemula, P.K.; Thiruvenkatam, V.

doi:10.1107/S2053229616018581

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 4
Structures of (1) overlayed using CHEMCRAFT (https://www.chemcraftprog.com): (a) B3LYP/6-31G(d) (r.m.s. deviation 0.2847); (b) B3LYP/6-31G(d,p) (r.m.s. deviation 0.2839); (c) B3LYP/6-311G(d,p) (r.m.s. deviation 0.2804).

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 73| Part 1| January 2017| Pages 20-27

https://doi.org/10.1107/S2053229616018581

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