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N-(3-Meth-oxy-phen-yl)-4-{4-methyl-2-[(meth-yl)(4-methyl-phen-yl)amino]-1,3-thia-zol-5-yl}pyrimidin-2-amine.

ABSTRACT: The asymmetric unit of the title compound, C(23)H(23)N(5)OS, contains two independent mol-ecules. In one mol-ecule, the thia-zole and pyrimidine rings are almost co-planar, making a dihedral angle of 2.48?(8)°. In the other mol-ecule, the corresponding dihedral angle is 12.82?(8)°. The crystal structure is stabilized by weak inter-molecular N-H?N and C-H?O inter-actions that extend along the b axis.

SUBMITTER: Shi HB

PROVIDER: S-EPMC3051738 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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N-(3-Meth-oxy-phen-yl)-4-{4-methyl-2-[(meth-yl)(4-methyl-phen-yl)amino]-1,3-thia-zol-5-yl}pyrimidin-2-amine.

Shi Hai-Bo HB Li Hai-Bo HB Hu Wei-Xiao WX

Acta crystallographica. Section E, Structure reports online 20110108 Pt 2

The asymmetric unit of the title compound, C(23)H(23)N(5)OS, contains two independent mol-ecules. In one mol-ecule, the thia-zole and pyrimidine rings are almost co-planar, making a dihedral angle of 2.48 (8)°. In the other mol-ecule, the corresponding dihedral angle is 12.82 (8)°. The crystal structure is stabilized by weak inter-molecular N-H⋯N and C-H⋯O inter-actions that extend along the b axis. ...[more]

PMID: 21522954

Similar Datasets

4-{4-Methyl-2-[(meth-yl)(2-methyl-phen-yl)amino]-1,3-thia-zol-5-yl}-N-(3-methyl-phen-yl)pyrimidin-2-amine.

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4-{2-[(3,4-Dichloro-phen-yl)(meth-yl)amino]-4-methyl-1,3-thia-zol-5-yl}-N-(3-methyl-phen-yl)pyrimidin-2-amine.

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Project description:In the title isoquinoline-dione compound, C(16)H(16)N(2)O(3)S, the piperidine ring in the tetra-hydro-isoquinoline ring system adopts a half-boat conformation. The essentially planar thia-zole ring [maximum deviation = 0.007?(2)?Å] makes a dihedral angle of 34.49?(7)° with the mean plane through the tetra-hydro-isoquinoline ring system. In the crystal structure, two neighbouring mol-ecules are linked via pairs of O-H?N and C-H?O hydrogen bonds into inversion-related dimers incorporating R(2) (2)(9) hydrogen-bond ring motifs. These dimers are further linked by weak inter-molecular C-H?? inter-actions.

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Project description:In the title compound, C(22)H(19)ClN(4)O(2)S, the planes of the benzene ring, the substituted phenyl ring and the thia-zole ring make dihedral angles of 18.4?(3), 88.9?(2) and 63.0?(3)°, respectively, with the pyrazole ring.

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2-(2-Methyl-phen-yl)-N-(1,3-thia-zol-2-yl)acetamide.

Project description:In the title compound, C12H12N2OS, the dihedral angle between the benzene and thia-zole rings is 83.5?(7)°. The acetamide group is almost coplanar with the thia-zole ring, being twisted from it by 4.2?(9)°. In the crystal, pairs of N-H?N hydrogen bonds link mol-ecules into inversion dimers, generating R 2 (2)[8] loops; the dimers are stacked along [001].

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