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N-(4-Fluoro-phen-yl)-2,6-dimethyl-1,3-dioxan-4-amine.

ABSTRACT: In the title compound, C12H16FNO2, the dioxane ring adopts a chair conformation with the methyl substituents and the C-N bond in equatorial orientations. Its mean plane subtends a dihedral angle of 40.17?(6)° with the benzene ring. In the crystal, weak N-H?F hydrogen bonds link the mol-ecules into C(7) chains propagating in [100].

SUBMITTER: Rambabu G

PROVIDER: S-EPMC3884279 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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N-(4-Fluoro-phen-yl)-2,6-dimethyl-1,3-dioxan-4-amine.

Rambabu Gottimukkala G Fatima Zeenat Z Reddy Bandapalli Palakshi BP Vijayakumar Vijayaparthasarathi V Velmurugan Devadasan D

Acta crystallographica. Section E, Structure reports online 20131002 Pt 11

In the title compound, C12H16FNO2, the dioxane ring adopts a chair conformation with the methyl substituents and the C-N bond in equatorial orientations. Its mean plane subtends a dihedral angle of 40.17 (6)° with the benzene ring. In the crystal, weak N-H⋯F hydrogen bonds link the mol-ecules into C(7) chains propagating in [100]. ...[more]

PMID: 24454055

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N-(2-Fluoro-phen-yl)-2,6-dimethyl-1,3-dioxan-4-amine.

Project description:In the title compound, C12H16FNO3, the dioxane ring adopts a chair conformation with the methyl groups and amine N atom in equatorial positions. The best plane through the dioxane ring makes a dihedral angle of 43.16?(8)° with the phenyl ring. In the crystal, pairs of C-H?O hydrogen bonds link the mol-ecules into centrosymmetric R 2 (2)(8) dimers, which are linked into [100] chains by further C-H?O hydrogen bonds. The N-H group does not participate in hydrogen bonding.

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Project description:In the title compound, C(15)H(14)N(4), the pyrido[2,3-d]pyrimidine system is almost ideally planar (r.m.s. deviation 0.028?Å) with its mean plane almost orthogonal to the 2,6-dimethyl-phenyl plane. The dihedral angle formed by these planes [87.3?(2)°] is close to the predicted value (89.7°) obtained by mol-ecular-mechanics force-field calculations. Only one of the two active amine H atoms participates in hydrogen bonding, which links mol-ecules into centrosymmetric dimers.

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