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Figure 3
Online theoretical tolnaftate models versus the experimental X-ray structure. (a) 3DChem, (b) ATB, (c) Mol-Instincts, (d) PubChem, and (e) this work. Each mol­ecule is viewed normal to its central CNOS plane, H atoms have been removed for clarity, open circles are drawn to a common arbitrary size, and displacement ellipsoids are depicted at the 50% probability level. The downloaded ATB coordinates have been inverted to facilitate comparisons with the other models.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
Volume 74| Part 11| November 2018| Pages 1495-1501
https://doi.org/10.1107/S2053229618013591
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