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2-[(2-Chloro-quinolin-3-yl)(hy-droxy)meth-yl]acrylo-nitrile.

ABSTRACT: In the title compound, C13H9ClN2O, the dihedral angle between the acrylo-nitrile C=C-CN plane and the quilonine ring system is 71.3?(2)°. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds, forming chains along [01-1]. The chains are linked into a three-dimensional network through C-H?N inter-actions.

SUBMITTER: Anuradha T

PROVIDER: S-EPMC3648303 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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2-[(2-Chloro-quinolin-3-yl)(hy-droxy)meth-yl]acrylo-nitrile.

Anuradha T T Srinivasan J J Seshadri P R PR Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20130424 Pt 5

In the title compound, C13H9ClN2O, the dihedral angle between the acrylo-nitrile C=C-CN plane and the quilonine ring system is 71.3 (2)°. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds, forming chains along [01-1]. The chains are linked into a three-dimensional network through C-H⋯N inter-actions. ...[more]

PMID: 23723923

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Crystal structure of 2-(4-chloro-phen-yl)-3-(4-meth-oxy-phen-yl)-3-(methyl-sulfanyl)-acrylo-nitrile.

Project description:In the title compound, C17H14ClNOS, the aromatic rings are inclined to one another by 64.22?(9)°. The acrylo-nitrile group (C=C-C N) is planar to within 0.003?(2)?Å, with the S atom and the methyl C atom displaced from this plane by 0.2317?(6) and -0.637?(2)?Å, respectively. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions, forming inversion dimers. There are no other significant inter-molecular inter-actions present.

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rac-4-Chloro-2-[({2-[(3-chloro-6-hy-droxy-2,4-dimethyl-benz-yl)(meth-yl)amino]-prop-yl}(meth-yl)amino)-meth-yl]-3,5-dimethyl-phenol.

Project description:The title compound, C(23)H(32)Cl(2)N(2)O(2), a potential chiral ligand for coordination chemistry, was prepared by a two-step reaction. The mol-ecule is located on a crystallographic centre of inversion. As a result, the methyl group bonded to the methyl-ene group is disordered over two equally occupied positions, sharing the same site as the H atom of the chiral C atom. As a further consequence of the crystallographic centrosymmetry, the 1,2-diamino-propane unit adopts an anti-periplanar conformation and the two benzene rings are coplanar. The central chain is in an all-trans arrangement. An intra-molecular O-H?N hydrogen bond makes an S(6) ring motif. A C-H?? inter-action links the mol-ecules into one-dimensional chains along the [001] direction.

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