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3-(3-Bromo-benz-yl)-1H-isochromen-1-one.

ABSTRACT: In the title compound, C(16)H(11)BrO(2), the isocoumarin ring system is planar (r.m.s. deviation = 0.015?Å) and subtends a dihedral angle of 88.90?(2)° with the bromo-benzene ring. In the crystal, mol-ecules are linked, forming a three-dimensional packing pattern involving C-H?O inter-actions, Br?O contacts [3.4734?(10)?Å] and ?-? stacking inter-actions with centroid-centroid distances ranging from 3.667?(2) to 3.765?(2)?Å.

SUBMITTER: Ali FI

PROVIDER: S-EPMC2970208 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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3-(3-Bromo-benz-yl)-1H-isochromen-1-one.

Ali Farukh Iftakhar FI Babar Tariq Mahmood TM Rama Nasim Hasan NH Jones Peter G PG

Acta crystallographica. Section E, Structure reports online 20090926 Pt 10

In the title compound, C(16)H(11)BrO(2), the isocoumarin ring system is planar (r.m.s. deviation = 0.015 Å) and subtends a dihedral angle of 88.90 (2)° with the bromo-benzene ring. In the crystal, mol-ecules are linked, forming a three-dimensional packing pattern involving C-H⋯O inter-actions, Br⋯O contacts [3.4734 (10) Å] and π-π stacking inter-actions with centroid-centroid distances ranging from 3.667 (2) to 3.765 (2) Å. ...[more]

PMID: 21577958

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