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Crystal structure of 4-(prop-2-yn-1-yl-oxy)benzo-nitrile.

ABSTRACT: In the title compound, C10H7NO, the dihedral angle between the aromatic ring and the prop-2-yn-1-yl-oxy grouping is 9.47?(10)°. The bond lengths indicate electronic conjugation between the cyano group, the benzene ring and the propyn-yloxy oxygen atom. In the crystal, a hydrogen bond between the acetyl-enic C-H atom and the cyano nitro-gen atom link the mol-ecules into wave-like [30-1]?C(11) chains. These chains are connected by Csp (2)-H??ac (?ac is the acetyl-inic C-C triple bond) close contacts [2.794?(1)?Å], resulting in a rolling sheet structure parallel to the ac plane and aromatic ?-? stacking inter-actions between the sheets [centroid-centroid distance = 3.593?(2)?Å] generate a three-dimensional network.

SUBMITTER: Kanagawa M 

PROVIDER: S-EPMC4384594 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of 4-(prop-2-yn-1-yl-oxy)benzo-nitrile.

Kanagawa Mayu M   Okuno Tsunehisa T  

Acta crystallographica. Section E, Crystallographic communications 20150110 Pt 2

In the title compound, C10H7NO, the dihedral angle between the aromatic ring and the prop-2-yn-1-yl-oxy grouping is 9.47 (10)°. The bond lengths indicate electronic conjugation between the cyano group, the benzene ring and the propyn-yloxy oxygen atom. In the crystal, a hydrogen bond between the acetyl-enic C-H atom and the cyano nitro-gen atom link the mol-ecules into wave-like [30-1] C(11) chains. These chains are connected by Csp (2)-H⋯πac (πac is the acetyl-inic C-C triple bond) close contac  ...[more]

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