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

ABSTRACT: 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.

SUBMITTER: Gao LX

PROVIDER: S-EPMC2960928 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

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

Gao Li-Xin LX Fang Guang-Jun GJ Feng Jin-Guo JG Liang Dong D Wang Wei W

Acta crystallographica. Section E, Structure reports online 20080329 Pt 4

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. ...[more]

PMID: 21202149

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N-(2-Chloro-phen-yl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfan-yl)acetamide.

Project description:In the title compound, C(14)H(14)ClN(3)OS, the 4,6-dimethyl-pyrimidine ring and the chloro-benzene ring subtend a dihedral angle of 80.0 (2)°. The length of the Csp(2)-S bond is significantly shorter than that of the Csp(3)-S bond. The crystal structure is stabilized by inter-molecular N-H⋯O, C-H⋯O and C-H⋯N hydrogen bonding, and C-H⋯π inter-actions.

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

Project description: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.

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Bis[2-((4,6-dimethyl-pyrimidin-2-yl){2-[(4,6-dimethyl-pyrimidin-2-yl)sulfan-yl]eth-yl}amino)-eth-yl] disulfide.

Project description:Bis[2-(4,6-dimethyl-pyrimidin-2-ylsulfan-yl)eth-yl]amine under hydro-thermal conditions has unexpectedly been transformed into the title compound, C(32)H(44)N(10)S(4). In the title mol-ecule, the zigzag 3,10-diaza-6,7-disulfanyldodecyl skeleton has two dimethyl-pyrimidinylsulfanyl groups at both ends, and the aza atoms each carry a dimethyl-pyrimidinyl unit. The N atoms in the skeleton show a planar coordination.

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1-(4,6-Dimethyl-pyrimidin-2-yl)thio-urea.

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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N-(4,6-Dimeth-oxy-pyrimidin-2-yl)-2-(3-methyl-phen-yl)acetamide.

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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2-[(4,6-Di-amino-pyrimidin-2-yl)sulfan-yl]-N-(2-methyl-phen-yl)acetamide.

Project description:In the title compound, C13H15NOS, the plane of the pyrimidine ring makes a dihedral angle of 54.73?(9)° with that of the o-tolyl ring. The mol-ecule adopts an extended conformation, which is evident from the C-C(=O)-N-Car (ar = aromatic) torsion angle of 178.42?(15)°. In the crystal, mol-ecules are linked via pairs of N-H?N hydrogen bonds, forming inversion dimers with an R (2) 2(8) ring motif. The dimers are linked by N-H?O and C-H?O hydrogen bonds, with the O atom accepting three such interactions, forming sheets parallel to (100).

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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.

Project description:In the title compounds, C11H12N6OS (I) and C10H11N7OS (II), the di-amino-pyrimidine ring makes dihedral angles of 71.10?(9)° with the pyridine ring in (I) and 62.93?(15)° with the pyrazine ring in (II). The ethanamine group, -CH2-C(=O)-NH- lies in the plane of the pyridine and pyrazine rings in compounds (I) and (II), respectively. In both compounds, there is an intra-molecular N-H?N hydrogen bond forming an S(7) ring motif and a short C-H?O inter-action forming an S(6) loop. In the crystals of both compounds, mol-ecules are linked by pairs of N-H?N hydrogen bonds, forming inversion dimers with R22(8) ring motifs. In (I), the dimers are linked by N-H?O and N-H?N hydrogen bonds, forming layers parallel to (1[Formula: see text] [Formula: see text]). The layers are linked by offset ?-? inter-actions [inter-centroid distance = 3.777?(1)?Å], forming a three-dimensional supra-molecular structure. In (II), the dimers are linked by N-H?O, N-H?N and C-H?O hydrogen bonds, also forming a three-dimensional supra-molecular structure.

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N-(4,6-Dimethyl-pyrimidin-2-yl)-1H-benzimidazol-2-amine.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(13)N(5). In each mol-ecule, an amino N atom is connected to a benzimidazole fused-ring system and a pyrimidine ring [these are aligned at 1.3 (1)° in one independent mol-ecule and at 5.4 (1)° in the other]. The amino N atom of the fused ring forms an intra-molecular N-H⋯O hydrogen bond to a pyrimidine N atom in each mol-ecule. The amino N atom connecting the two ring systems inter-acts with the other N atom of the pyrimidine ring of an adjacent mol-ecule, generating centrosymmetric hydrogen-bonded dimers.

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Bis(4,6-diamino-pyrimidin-2-yl) disulfide dimethyl sufoxide disolvate.

Project description:The title compound, C(8)H(10)N(8)S(2)·2C(2)H(6)SO, was obtained unintentionally during an attempt to prepare a thiol-ate derivative of trimethyl-tin. The complete disulfide mol-ecule is generated by twofold rotation symmetry and the C-S-S-C torsion angle around the S-S bond is -85.70 (10)°. The mol-ecules are connected via N-H⋯N hydrogen bonds into strongly corrugated layers parallel to (001), generating an R(2) (2)(8) motif. The solvent mol-ecule, which exhibits minor disorder of its S atom [site occupancies = 0.9591 (18) and 0.0409 (18)], is linked to this layer via a pair of N-H⋯O inter-actions.

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Crystal structures of 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-<i>N</i>-(naphthalen-1-yl)acetamide and 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-<i>N</i>-(4-fluoro-phen-yl)acetamide.

Project description:The title compounds, C16H15N5OS, (I), and C12H12FN5OS, (II), are [(di-amino-pyrimidine)-sulfan-yl]acetamide derivatives. In (I), the pyrimidine ring is inclined to the naphthalene ring system by 55.5 (1)°, while in (II), the pyrimidine ring is inclined to the benzene ring by 58.93 (8)°. In (II), there is an intra-molecular N-H⋯N hydrogen bond and a short C-H⋯O contact. In the crystals of (I) and (II), mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers with R22(8) ring motifs. In the crystal of (I), the dimers are linked by bifurcated N-H⋯(O,O) and C-H⋯O hydrogen bonds, forming layers parallel to (100). In the crystal of (II), the dimers are linked by N-H⋯O hydrogen bonds, also forming layers parallel to (100). The layers are linked by C-H⋯F hydrogen bonds, forming a three-dimensional architecture.

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