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2,7-Bis(prop-2-yn-1-yl-oxy)naphthalene.

ABSTRACT: 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?? inter-actions.

SUBMITTER: Xue WJ

PROVIDER: S-EPMC3006840 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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2,7-Bis(prop-2-yn-1-yl-oxy)naphthalene.

Xue Wei-Jian WJ Lu Hui H Pang Tao T

Acta crystallographica. Section E, Structure reports online 20100609 Pt 7

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. ...[more]

PMID: 21587843

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Project description:In the crystal structure of the title compound, C(16)H(12)O(2), no classical hydrogen bonds or aromatic ?-? stacking inter-actions were observed. The mol-ecules are linked into a three-dimensional framework by a combination of C-H?O and C-H??(arene) hydrogen bonds.

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Project description:In the title mol-ecule [systematic name: 10-(prop-2-yn-1-yl)dipyrido[3,4-b:3',4'-e][1,4]thia-zine], C(13)H(9)N(3)S, the dihedral angle between the two pyridine rings is 146.33?(7)° and the angle between two halves of the thia-zine ring is 138.84?(8)°, resulting in a butterfly shape for the tricyclic system. The central thia-zine ring adopts a boat conformation, with the 2-propynyl substituent at the thia-zine N atom located in a pseudo-equatorial position and oriented to the concave side of the diaza-phenothia-zine system. In the crystal, mol-ecules are arranged via ?-? inter-actions between the pyridine rings [centroid-centroid distances = 3.838?(1) and 3.845?(1)?Å] into stacks extending along [001]. There are C-H?C and C-H?N inter-actions between mol-ecules of neighbouring stacks.

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