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N-(2-Bromo-4-methyl-phen-yl)-2-(5-methyl-2-phenyl-pyrazolo-[1,5-a]pyrimidin-7-yl)acetamide.

ABSTRACT: The fused pyrazole and pyrimidine rings in the title compound, C22H19BrN4O, are almost coplanar, their planes being inclined to one another by 2.08 (13)°. The dihedral angles formed by the mean plane of the fused ring system and the phenyl and benzene rings are 16.21 (4) and 82.84 (4)°, respectively. An intra-molecular N-H⋯N hydrogen bond is observed. In the crystal, mol-ecules form inversion dimers via pairs of C-H⋯O hydrogen bonds. π-π inter-actions, with centroid-centroid distances of 3.4916 (9) Å, connect the dimers into a three-dimensional network.

SUBMITTER: Bassoude I

PROVIDER: S-EPMC3684917 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-(4-Bromo-phenyl-sulfon-yl)-2,2,2-tri-methyl-acetamide.

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Project description:The asymmetric unit of the title compound, C(14)H(13)BrN(2)O, consists of two mol-ecules; the dihedral angles between the pyridine and benzene rings are 87.99 (9) and 84.28 (9)°. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring in each mol-ecule. In the crystal, mol-ecules are linked via N-H⋯N and C-H⋯O hydrogen bonds into a three-dimensional network. The crystal structure also features weak π-π stacking inter-actrions between the benzene rings [centroid-to-centroid distance = 3.6829 (12) Å].

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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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Project description:The conformation of the N-H bond in the structure of the title compound, C(8)H(8)BrNO, is anti to the C=O bond and to the meta-bromo substituent of the aromatic ring in both independent mol-ecules comprising the asymmetric unit. Mol-ecules are linked through N-H?O hydrogen bonding into supra-molecular chains with a twisted topology.

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Project description:In the title compound, C(25)H(13)Cl(2)F(4)N(3), there are four planar systems, viz. three benzene rings and a pyrazolo-[1,5-a]pyrim-idine system [r.m.s. deviation = 0.002?Å]. The dihedral angle between the dichloro-phenyl ring and the unsubstituted phenyl ring is 69.95?(5)°, while that between the fluoro-phenyl ring and the unsubstituted phenyl ring is 7.97?(10)°. The crystal packing is dominated by van der Waals inter-actions. A Cl?Cl inter-action of 3.475?(3)?Å also occurs.

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3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-methyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine.

Project description:In the title compound, C(20)H(11)Cl(2)F(4)N(3), the central pyrazolo-[1,5-a]pyrimidine unit is almost planar [the mean deviation from the best least-square plane through the nine atoms is 0.006?(2)?Å]. The fluoro-benzene ring is rotated out of this plane by 10.3?(3)°, whereas the dichloro-benzene ring is rotated by 46.2?(3)°. The crystal packing is dominated by Cl?Cl inter-actions of 3.475?(3)?Å and van der Waals inter-actions.

| S-EPMC3344620 | biostudies-literature

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