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2-(4,6-Dimethyl-pyrimidin-2-ylsulfan-yl)-N-(4-methyl-pyridin-2-yl)acetamide.

ABSTRACT: The non-H atoms of the title mol-ecule, C(14)H(16)N(4)OS, are coplanar, with an r.m.s. deviation of 0.039?Å. The dihedral angle between the two aromatic rings is 2.4?(2)°. An intra-molecular C-H?O hydrogen bond is observed. The mol-ecules exist as N-H?N hydrogen-bonded centrosymmetric dimers.

SUBMITTER: Liang D

PROVIDER: S-EPMC2915263 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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2-(4,6-Dimethyl-pyrimidin-2-ylsulfan-yl)-N-(4-methyl-pyridin-2-yl)acetamide.

Liang Dong D Gao Li-Xing LX Gao Yan Y Xu Jing J Wang Wei W

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The non-H atoms of the title mol-ecule, C(14)H(16)N(4)OS, are coplanar, with an r.m.s. deviation of 0.039 Å. The dihedral angle between the two aromatic rings is 2.4 (2)°. An intra-molecular C-H⋯O hydrogen bond is observed. The mol-ecules exist as N-H⋯N hydrogen-bonded centrosymmetric dimers. ...[more]

PMID: 21200766

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2-(4,6-Dimethyl-pyrimidin-2-ylsulfan-yl)-N-phenyl-acetamide.

Project description:In the title compound, C(14)H(15)N(3)OS, the phenyl ring is almost perpendicular to the dimethyl-pyrimidine group, with a dihedral angle of 88.1 (3)°. The Csp(2)-S bond of 1.759 (3) Å is significantly shorter than the Csp(3)-S bond of 1.795 (3) Å due to the p-π conjugation.

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Project description:In the title compound, C(15)H(17)N(3)O(3), the dihedral angle between the pyrimidine and benzene rings is 87.0?(7)°. In the crystal, mol-ecules are linked into inversion dimers with R(2) (2)(8) graph-set motifs by a pair of N-H?O hydrogen bonds. Weak C-H?O hydrogen bonds and inter-molecular ?-? inter-actions [centroid-centroid distance = 3.544?(1)?Å] are also observed.

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Crystal structures and Hirshfeld surface analyses of 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-N-(pyridin-2-yl)acetamide and 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-N-(pyrazin-2-yl)acetamide.

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Project description:In the crystal structure of the title compound, C(7)H(10)N(4)S, weak inter-molecular N-H⋯S inter-actions form a two-dimensional network parallel to the ab plane. An intra-molecular N-H⋯N hydrogen bond occurs.

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Project description:In the title compound, C(12)H(12)N(2)O(4), the dihedral angle between the pyridine and enamine planes is 3.5?(3)°, while the angle between the dioxanedione (seven atoms) and enamine planes is 4.6?(3)°. The dioxane ring approximates an envelope conformation.

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Crystal structures of 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-<i>N</i>-(2,4-di-methyl-phen-yl)acetamide and 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-<i>N</i>-(3-meth-oxy-phen-yl)acetamide.

Project description:In the title compounds, C14H17N5OS (I) and C13H15N5O2S (II), the dihedral angle between the pyrimidine and benzene rings is 58.64 (8)° in (I) and 78.33 (9)° in (II). In both compounds, there is an intra-molecular C-H⋯O hydrogen bond, and in (II) there is also an intra-molecular N-H⋯N hydrogen bond present. In the crystals of both compounds, a pair of N-H⋯N hydrogen bonds links the individual mol-ecules to form inversion dimers with R22(8) ring motifs. In (I), the dimers are linked by N-H⋯O and C-H⋯O hydrogen bonds, enclosing R21(14), R21(11) and R21(7) ring motifs, forming layers parallel to the (100) plane. There is also an N-H⋯π inter-action present within the layer. In (II), the inversion dimers are linked by N-H⋯O hydrogen bonds enclosing an R44(18) ring motif. The presence of N-H⋯O and C-H⋯O hydrogen bonds generate an R21(6) ring motif. The combination of these various hydrogen bonds results in the formation of layers parallel to the (1-11) plane.

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N-Cyclo-hexyl-N-{[3-(4,6-dimeth-oxy-pyrimidin-2-yl-oxy)pyridin-2-yl]meth-yl}4,6-dimeth-oxy-pyrimidin-2-amine.

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