Crystal structure and Hirshfeld analysis of 2-(5-bromothiophen-2-yl)acetonitrile
2018 ◽
Vol 74
(2)
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pp. 189-192
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Keyword(s):
Type I
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The title compound, C6H4BrNS, crystallizes in the space group P21/n with one complete molecule in the asymmetric unit. The non-H atoms are nearly planar (r.m.s for non-H atoms = 0.071 Å), with the nitrile group oriented antiperiplanar with respect to the thiophene S atom. Intermolecular Type I centrosymmetric Br...Br halogen interactions are present at a distance of 3.582 (1) Å and with a C—Br...Br angle of 140.7 (1)°. Additional weaker C—H...N, C—H...S, and S...π interactions are also present. A Hirshfeld analysis indicates Br...Br interactions comprise only 1.9% of all the interatomic contacts.
2017 ◽
Vol 73
(10)
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pp. 1560-1562
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2014 ◽
Vol 70
(11)
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pp. 322-324
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2021 ◽
Vol 77
(11)
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Keyword(s):
2015 ◽
Vol 71
(7)
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pp. o504-o505
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2015 ◽
Vol 71
(3)
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pp. o210-o211
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Keyword(s):
2015 ◽
Vol 71
(2)
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pp. o123-o124
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2006 ◽
Vol 62
(7)
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pp. o2714-o2716
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2017 ◽
Vol 73
(7)
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pp. 1092-1096
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