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4-(4-Fluoro-phen-yl)-6-(2-fur-yl)pyrimidin-2-amine.

ABSTRACT: Mol-ecules of the title compound, C(14)H(10)FN(3)O, are essentially planar and in the crystal structure they form dimers via hydrogen bonds, involving pyrimidinyl N atoms and amino H atoms, about inversion centers. The centroids of the furyl and pyrimidinyl rings are separated by 3.489?(2)Å, indicating ?-? stacking inter-actions.

SUBMITTER: Bukhari MH

PROVIDER: S-EPMC2961462 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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4-(4-Fluoro-phen-yl)-6-(2-fur-yl)pyrimidin-2-amine.

Bukhari Mujahid Hussain MH Siddiqui Hamid Latif HL Chaudhary Muhammad Ashraf MA Hussain Tanvir T Parvez Masood M

Acta crystallographica. Section E, Structure reports online 20080503 Pt 6

Mol-ecules of the title compound, C(14)H(10)FN(3)O, are essentially planar and in the crystal structure they form dimers via hydrogen bonds, involving pyrimidinyl N atoms and amino H atoms, about inversion centers. The centroids of the furyl and pyrimidinyl rings are separated by 3.489 (2)Å, indicating π-π stacking inter-actions. ...[more]

PMID: 21202693

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(4-Fluoro-phen-yl)[6-(2-fur-yl)-7-nitro-2,3,4,6,7,8-hexa-hydro-1H-pyrido[1,2-a]pyrimidin-9-yl]methanone.

Project description:In the title compound, C(19)H(18)FN(3)O(4), the fused pyridine and pyrimidine rings adopt half-chair conformations. The structure displays intra-molecular N-H?O and inter-molecular N-H?F hydrogen bonding.

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5-[(4-Fluoro-anilino)meth-yl]-6-methyl-N-(4-methyl-phen-yl)-2-phenyl-pyrimidin-4-amine.

Project description:In the title compound, C(25)H(23)FN(4), the pyrimidine ring makes dihedral angles of 11.3?(2), 24.5?(2) and 70.1?(2)° with the phenyl and two benzene rings, and the mol-ecular conformation is stabilized by an intra-molecular N-H?N hydrogen bond with an S(6) ring motif. In the crystal, a pair of weak C-H?F hydrogen bonds link two mol-ecules into an inversion dimer with an R(2) (2)(16) motif. In the dimer, there is also an inter-molecular ?-? stacking inter-action [centroid-centroid distance = 3.708?(4)?Å] between the fluorinated benzene rings. The dimers are further linked by a C-H?? inter-action, so forming a column along the c axis.

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N-(3-Methyl-phen-yl)pyrimidin-2-amine.

Project description:Two independent mol-ecules comprise the asymmetric unit in the title compound, C(11)H(11)N(3). These differ in terms of the relative orientations of the aromatic rings: the first is somewhat twisted, while the second is approximately planar [dihedral angles between the pyrimidine and phenyl rings = 39.00 (8) and 4.59 (11)°]. The mol-ecules also form distinct patterns in their hydrogen bonding. The first independent mol-ecule forms centrosymmetric dimers featuring an eight-membered {HNCN}(2) synthon. The second independent mol-ecule forms an N-H⋯N hydrogen bond with the other pyrimidine N atom of the first mol-ecule. Thereby, tetra-meric aggregates are formed. These associate via C-H⋯N and C-H⋯π inter-actions, consolidating the crystal packing.

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Project description:The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent mol-ecules, denoted A and B. The conformation of each mol-ecule is mainly determined by an intra-molecular N-H?N hydrogen bond, which closes a six-membered ring. The dihedral angles between the pyrimidine ring and the phenyl, fluorophenyl and ethoxyphenyl rings are 15.4?(2), 28.4?(2) and 77.5?(2)°, respectively, in mol-ecule A, and 15.9?(2), 2.7?(2) and 61.8?(2)° in mol-ecule B. Inter-molecular N-H?N hydrogen bonds and ?-? stacking inter-actions between pyrimidine rings [centroid-centroid distance = 3.692?(4)?Å] connect mol-ecules A and B into dimers and C-H?O hydrogen bonds link the dimers into zigzag chains along [011]. The (4-eth-oxy-anilino)methyl group of the B mol-ecule is disordered over two sets of sites, the occupancy factor for the major component being 0.900?(2).

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N-(4-Meth-oxy-phen-yl)-6-methyl-2-phenyl-5-{[4-(tri-fluoro-meth-yl)anilino]meth-yl}pyrimidin-4-amine.

Project description:The title compound, C26H23F3N4O, crystallizes with two symmetry-independent mol-ecules in the asymmetric unit, denoted A and B, which differ mainly in the rotation of the meth-oxy-phenyl ring. The -CF3 group of mol-ecule B is disordered by rotation, with the F atoms split over two sets of sites; the occupancy factor for the major component is 0.853?(4). The dihedral angles between the pyrimidine ring and the attached phenyl, meth-oxy-phenyl and tri-fluoro-methyl-phenyl rings are 8.1?(2), 37.5?(2) and 70.7?(2)°, respectively, in mol-ecule A, and 9.3?(2), 5.3?(2) and 79.7?(2)° in mol-ecule B. An intra-molecular N-H?N hydrogen bond occurs in each mol-ecule. In the crystal, two crystallographically independent mol-ecules associate into a dimer via a pair of N-H?N hydrogen bonds, with a resulting R 2 (2)(12) ring motif and ?-? stacking inter-actions [centroid-centroid distance = 3.517?(4)?Å] between the pyrimidine rings. For the A mol-ecules, there are inter-molecular C-H?O hydrogen bonds between an aryl C atom of meth-oxy-phenyl ring and a meth-oxy O atom of an adjacent mol-ecule. A similar inter-action is lacking in the B mol-ecules.

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4-(4-Chloro-phen-yl)-6-(methyl-sulfan-yl)pyrimidin-2-amine.

Project description:In the title compound, C(11)H(10)ClN(3)S, the dihedral angle between the benzene and pyrimidine rings is 3.99?(4)°. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules into ribbons of R(2) (2)(8) rings parallel to [100]. Weak C-H?S contacts connect adjacent ribbons into a two-dimensional undulating layer-like structure extending parallel to (110). The benzene and pyrimidine rings of adjacent mol-ecules have the offset face-to-face ?-? stacking inter-actions in a zigzag fashion along the c axis, with perpendicular ring distances of 3.463 and 3.639?Å, and a dihedral angle between the planes of 3.99?(2)°. The distance between the ring centroids is 4.420?(2)?Å.

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6-(2,6-Dimethyl-phen-yl)pyrido[2,3-d]pyrimidin-7-amine.

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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(4-Chloro-2-fluoro-phen-yl)[1-(2,6-difluoro-phen-yl)but-3-en-yl]amine.

Project description:In the mol-ecule of the title homoallylic amine, C(16)H(13)ClF(3)N, the dihedral angle between the two benzene rings is 84.63 (4)°. Weak intra-molecular N-H⋯F hydrogen bonds generate S(6) and S(5) ring motifs. In the crystal structure, weak inter-molecuar N-H⋯F hydrogen bonds link mol-ecules into centrosymmetric dimers which are arranged in mol-ecular sheets parallel to the ac plane.

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N-(2-Fluoro-phen-yl)-5-[(4-meth-oxy-phen-yl)amino-meth-yl]-6-methyl-2-phenyl-pyrimidin-4-amine.

Project description:The conformation of the title mol-ecule, C(25)H(23)FN(4)O, is mainly determined by an intra-molecular N-H?N hydrogen bond closing a six-membered ring and the dihedral angles between the pyrimidine ring and the three benzene rings which are 12.8?(2), 12.0?(2) and 86.1?(2)°. An intra-molecular N-H?F inter-action also occurs. The crystal stucture is stabilized by weak C-H?O and C-H?? inter-actions. An inter-molecular N-H?N inter-action is also observed.

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5-(3-Fluoro-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(8)H(6)FN(3)S, was synthesized by the reaction of 3-fluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the planes of the thia-diazole and benzene rings is 37.3 (2)°. In the structure, two crystallographically independent mol-ecules form a centrosymmetric dimer, in which two inter-molecular N-H⋯N hydrogen bonds generate an R(2) (2)(8) motif.

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