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2-(2-Bromo-eth-yl)isoindoline-1,3-dione.

ABSTRACT: The asymmetric unit of the title compound, C(10)H(8)BrNO(2), contains three crystallographically independent mol-ecules. Two of the N-C-C-Br side chains adopt anti conformations [torsion angles = -179.8?(5) and -179.4?(4)°] and the other is gauche [-66.5?(6)°]. The crystal structure features short Br?O [3.162?(5)?Å] contacts, C-H?O hydrogen bonds and numerous ?-? stacking inter-actions [centroid-centroid separations = 3.517?(4)-3.950?(4)?Å].

SUBMITTER: Sun XQ

PROVIDER: S-EPMC3247571 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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2-(2-Bromo-eth-yl)isoindoline-1,3-dione.

Sun Xiao-Qiang XQ An Dong D Shao Ying Y

Acta crystallographica. Section E, Structure reports online 20111005 Pt 11

The asymmetric unit of the title compound, C(10)H(8)BrNO(2), contains three crystallographically independent mol-ecules. Two of the N-C-C-Br side chains adopt anti conformations [torsion angles = -179.8 (5) and -179.4 (4)°] and the other is gauche [-66.5 (6)°]. The crystal structure features short Br⋯O [3.162 (5) Å] contacts, C-H⋯O hydrogen bonds and numerous π-π stacking inter-actions [centroid-centroid separations = 3.517 (4)-3.950 (4) Å]. ...[more]

PMID: 22219876

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