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. 2018 Oct 12;14:2618–2626. doi: 10.3762/bjoc.14.240

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Copyright © 2018, Smyshliaeva et al.

This is an Open Access article under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0). Please note that the reuse, redistribution and reproduction in particular requires that the authors and source are credited.

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Molecular structure of 5d. Selected bond distances (Å) and angles (deg) for molecule 1: C(3)–C(14), 1.665; C(3)–C(5), 1.491; C(5)–N(1), 1.338; C(5)–C(4), 1.472; Br(1)–C(9), 1.910; O(1)–N(1), 1.281; N(3)–C(4), 1.30; N(3)–C(2), 1.45; C(2)–C(1), 1.54; C(2)–C(12), 1.53; C(6)–C(4), 1.499; C(4)–N(3)–C(2), 108.2; O(1)–N(1)–C(2), 120.3; O(1)–N(1)–C(5), 130.0; C(5)–C(3)–C(14), 116.6; C(12)–C(2)–N(1), 108.4; C(1)–C(2)–N(3), 111.4; C(1)–C(2)–C(12), 113.8; for molecule 2 “A”: C(3A)–C(15), 1.65; C(3A)–C(5A), 1.500; C(5A)–N(1A), 1.326; C(5A)–C(4A), 1.468; Br(2)–C(9A), 1.904; O(1A)–N(1A), 1.267; N(3A)–C(4A), 1.300; N(3A)–C(2A), 1.441; C(2A)–C(1A), 1.523; C(2A)–C(12A), 1.532; C(6A)–C(4A), 1.491; C(4A)–N(3A)–C(2A), 108.6; O(1A)–N(1A)–C(2A), 120.4; O(1A)–N(1A)–C(5A), 130.4; C(5A)–C(3A)–C(15), 116.5; C(12A)–C(2A)–N(1A), 107.1; C(1A)–C(2A)–N(3A), 113.0; C(1A)–C(2A)–C(12A), 112.0.