Crystal structure of 4-(prop-2-yn-1-yloxy)benzonitrile
نویسندگان
چکیده
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 contacts [2.794 (1) Å], resulting in a rolling sheet structure parallel to the ac plane and aromatic π-π stacking inter-actions between the sheets [centroid-centroid distance = 3.593 (2) Å] generate a three-dimensional network.
منابع مشابه
1-[3-Methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethanone
In the title compound, C(12)H(12)O(3), the meth-oxy and prop-2-yn-yloxy groups are nearly coplanar with the attached benzene ring [C-O-C-C torsion angles = 1.2 (3) and 2.2 (3)°, respectively]. In the crystal, inversion dimers linked by pairs of C-H⋯O inter-actions occur.
متن کامل2,7-Bis(prop-2-yn-1-yloxy)naphthalene
The title compound, C(16)H(12)O(2), was synthesized from naphthalene-2,7-diol and prop-2-ynyl 4-methyl-benzene-sulfonate in the presence of sodium hydride. The crystal packing exhibits inter-molecular non-classical C-H⋯O hydrogen bonds and C-H⋯π inter-actions.
متن کامل4-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile
In the title compound, C(11)H(6)N(2)O, the complete mol-ecule is generated by the application of crystallographic twofold symmetry (the mol-ecule is disordered about this axis). The prop-2-yn-1-yl residue is slightly twisted out of the plane of the benzene ring [C-O-C-C torsion angle = 173.1 (3)°] and is orientated away from the nitrile substituents. In the crystal, supra-molecular chains along...
متن کامل(E)-1-[4-(Prop-2-yn-1-yloxy)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
The mol-ecule of the title chalcone derivative, C(21)H(20)O(5), consists of two substituted aromatic rings bridged by a prop-2-en-1-one group. The dihedral angle between the two benzene rings is 28.7 (7)°. In the crystal, mol-ecules are linked into C(10) chains running along the a axis by inter-molecular C-H⋯O hydrogen bonds, and the chains are cross-linked via C-H⋯π inter-actions.
متن کامل4-(Prop-2-yn-1-yloxy)benzaldehyde
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 bo...
متن کامل