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. 2016 May 18;8:27. doi: 10.1186/s13321-016-0139-1

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© The Author(s). 2016

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Fig. 3 — Number of halogen bond interactions observed in bond angle regions. a, d, g Represent the number of interactions of C–Cl···O at angles 165°–180°, 150°–165°, 135°–150° respectively. b, e, h Represent the number of interactions of C–Br···O at angles 165°–180°, 150°–165°, 135°–150° respectively. c, f, i Represent the number of interactions of C–l···O at angles 165°–180°, 150°–165°, 135°–150° respectively