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4-(Prop-2-yn-1-yl-oxy)benzaldehyde.

ABSTRACT: In the title mol-ecule, C10H8O2, all non-H atoms are essentailly coplanar (r.m.s. deviation = 0.0192?Å), indicating an effective conjugation of the carbonyl group, the benzene ring and the lone pair of the propyn-yloxy O atom. In the crystal, ?-? stacking inter-actions [centroid-centroid distance = 3.5585?(15)?Å] connect mol-ecules into inversion dimers which are linked by Csp-H?O=C hydrogen bonds, forming a ladder-like structure.

SUBMITTER: Doi I

PROVIDER: S-EPMC3588297 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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4-(Prop-2-yn-1-yl-oxy)benzaldehyde.

Doi Ikue I Okuno Tsunehisa T

Acta crystallographica. Section E, Structure reports online 20121222 Pt 1

In the title mol-ecule, C10H8O2, all non-H atoms are essentailly coplanar (r.m.s. deviation = 0.0192 Å), indicating an effective conjugation of the carbonyl group, the benzene ring and the lone pair of the propyn-yloxy O atom. In the crystal, π-π stacking inter-actions [centroid-centroid distance = 3.5585 (15) Å] connect mol-ecules into inversion dimers which are linked by Csp-H⋯O=C hydrogen bonds, forming a ladder-like structure. ...[more]

PMID: 23476386

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