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2-Amino-4,6-dimethyl-pyrimidine-benzoic acid (1/1).

ABSTRACT: The crystal of the title compound, C(6)H(9)N(3)·C(7)H(6)O(2), contains tetra-meric hydrogen-bonded units comprising a central pair of 2-amino-pyrimidine mol-ecules linked across a centre of inversion by N-H?N hydrogen bonds and two pendant benzoic acid mol-ecules attached through N-H?O and O-H?N hydrogen bonds. These hydrogen-bonded units are arranged into layers in (002).

SUBMITTER: Meng AL

PROVIDER: S-EPMC2969298 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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2-Amino-4,6-dimethyl-pyrimidine-benzoic acid (1/1).

Meng A-Lan AL Huang Jun-E JE Zheng Bin B Li Zhen-Jiang ZJ

Acta crystallographica. Section E, Structure reports online 20090617 Pt 7

The crystal of the title compound, C(6)H(9)N(3)·C(7)H(6)O(2), contains tetra-meric hydrogen-bonded units comprising a central pair of 2-amino-pyrimidine mol-ecules linked across a centre of inversion by N-H⋯N hydrogen bonds and two pendant benzoic acid mol-ecules attached through N-H⋯O and O-H⋯N hydrogen bonds. These hydrogen-bonded units are arranged into layers in (002). ...[more]

PMID: 21582869

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2-Amino-4,6-dimethyl-pyrimidine-anthranilic acid (1/1).

Project description:In the title 1:1 adduct, C(6)H(9)N(3)·C(7)H(7)NO(2), the crystal structure is stabilized by hydrogen bonds involving two different R(2) (2)(8) motifs. One of them is formed by the inter-action of 2-amino-4,6-dimethyl-pyrimidine (AMPY) with the carboxyl group of anthranilic acid (AA) through N-H?O and O-H?N hydrogen bonds, whereas the other is formed through the inter-action of two centrosymmetrically related pyrimidines involving N-H?N hydrogen bonds. These two combined motifs form a heterotetra-mer. The heterotetra-mer sheets are stacked into three-dimensional network.

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4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)benzene-sulfonamide-benzoic acid (1/1).

Project description:The constituents of the title co-crystal, C(12)H(14)N(4)O(2)S·C(7)H(6)O(2), are connected by an eight-membered hetero-synthon {?NCNH?OCOH}, whereby the carb-oxy-lic acid forms donor and acceptor hydrogen bonds with a pyrimidine N atom and the adjacent amine, respectively. The dimeric aggregates thus formed are arranged in rows with their terminal NH(2) groups forming N-H?O hydrogen bonds with neighbouring aggregates to form a two-dimensional array in the ac plane with an overall T-shaped topology. Layers inter-digitate along the b axis being connected by C-H?O, C-H?? and ?-? [centroid-centroid distance = 3.6316?(19)?Å] inter-actions.

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(2-Amino-4,6-dimethyl-pyrimidine-?N)(2-amino-4-methyl-pyrimidine-?N)silver(I) nitrate.

Project description:Colourless crystals of the title compound, [Ag(C(5)H(7)N(3))(C(6)H(9)N(3))]NO(3), separated out of a solution of 2-amino-4-methyl-pyrimidine, 2-amino-4,6-dimethyl-pyrimidine and silver nitrate in water and methanol. The central Ag(I) ion is coordinated by two different N atoms in the aromatic rings of the ligands, with an N-Ag-N angle of 173.9?(2)°. The crystal structure is composed of two complexed cations and stabilized by an inter-molecular N-H?O and N-H?N hydrogen-bond network and there is ?-? stacking of the aromatic rings [inter-planar distance 3.651?(10)?Å].

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(2-Amino-4,6-dimethyl-pyrimidine-?N)(2-amino-4-methyl-pyrimidine-?N)silver(I) perchlorate.

Project description:Colourless crystals of the title mixed ligand complex, [Ag(C(5)H(7)N(3))(C(6)H(9)N(3))]ClO(4), were obtained from a solution of 2-amino-4-methyl-pyrimidine, 2-amino-4,6-dimethyl-pyrim-idine and silver perchlorate in water and methanol. The crystal structure is stabilized by inter-molecular N-H?O and N-H?N hydrogen bonds and ?-? stacking inter-actions of the aromatic rings of the two ligands [inter-planar distance = 3.652?(10)?Å]. The Ag(I) atom shows a linear coordination [N-Ag-N = 174.6?(1)°].

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4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzene-sulfonamide-4-nitro-benzoic acid (1/1).

Project description:In the asymmetric unit of the title co-crystal, C(7)H(5)NO(4)·C(12)H(14)N(4)O(2)S, there are two independent but conformationally similar heterodimers, which are formed through inter-molecular N-H?O(carb-oxy) and carbox-yl-pyrimidine O-H?N hydrogen-bond pairs, giving a cyclic motif [graph set R(2) (2)(8)]. The dihedral angles between the rings in the sulfonamide molecules are 78.77?(8) and 82.33?(9)° while the dihedral angles between the ring and the CO(2)H group in the acids are 2.19?(9) and 7.02?(10)°. A two-dimensional structure parallel to the ab plane is generated from the heterodimer units through hydrogen-bonding associations between NH(2) and sulfone groups. Between neighbouring two-dimensional arrays there are two types of aromatic ?-? stacking inter-actions involving either one of the pyrimidine rings and a 4-nitro-benzoic acid mol-ecule [minimum ring centroid separation = 3.5886?(9)?Å] or two acid mol-ecules [minimum ring centroid separation = 3.7236?(10)?Å].

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4-Amino-N-(4,6-dimethyl-pyrimidin-2-yl)benzene-sulfonamide-2-nitro-benzoic acid (1/1).

Project description:In the asymmetric unit of the title co-crystal, C(12)H(14)N(4)O(2)S·C(7)H(5)NO(4), the sulfamethazine and 2-nitro-benzoic acid mol-ecules form a heterodimer through inter-molecular amide-carb-oxy-lic acid N-H?O and carb-oxy-lic acid-pyrimidine O-H?N hydrogen-bond pairs, giving a cyclic motif [graph set R(2) (2)(8)]. The dihedral angle between the two aromatic ring systems in the sulfamethazine mol-ecule is 88.96?(18)° and the nitro group of the acid is 50% rotationally disordered. Secondary aniline N-H?O(sulfone) hydrogen-bonding associations give a two-dimensional structure lying parallel to the ab plane.

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2-Iodo-4,6-dimethyl-pyrimidine.

Project description:In the title compound, C(6)H(7)IN(2), the non-H atoms of the mol-ecule are located on a crystallographic mirror plane; the H atoms of the methyl groups are therefore disordered over two positions of equal occupancy. In the crystal structure, short inter-molecular I?N contacts [3.390?(3)?Å] are found, linking the mol-ecules into zigzag chains. In addition, there are inter-molecular ?-? stacking inter-actions between the pyrimidine rings of adjacent mol-ecules [centroid-centroid distance = 3.5168?(10)?Å], resulting in a two-dimensional supra-molecular architecture.

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4,6-Dimethyl-2-p-tolyl-pyrimidine.

Project description:The mol-ecule of the title compound, C(13)H(14)N(2), is located on a crystallographic mirror plane. The aromatic rings make a dihedral angle of 3.4?(2)°. The H atoms of the methyl groups on the benzene ring are disordered over two positions; their site-occupation factors were fixed at 0.5. In the crystal, inter-molecular C-H?? contacts form infinite chains perpendicular to the b axis.

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2-Amino-4,6-di-methyl-pyrimidine-sorbic acid (1/1).

Project description:In the crystal of the title compound, C6H9N3·C6H8O2, the 2-amino-4,6-di-methyl-pyrimidine and sorbic acid mol-ecules are linked through N-H?O and O-H?N hydrogen bonds, which generate a cyclic bimolecular heterosynthon with an R 2 (2)(8) graph-set motif. Further, two inversion-related pyrimidine mol-ecules are base-paired via a pair of N-H?N hydrogen bonds, forming a cyclic bimolecular homosynthon with a graph-set of R 2 (2)(8). A discrete hetero tetra-meric supra-molecular unit along the b axis is formed by the fusion of two heterosynthons and one homosynthon. An aromatic ?-? inter-action [centroid-centroid distance = 3.7945?(16)?Å] is observed between these tetra-meric units.

| S-EPMC3793739 | biostudies-literature

4,6-Dimeth-oxy-2-(methyl-sulfan-yl)pyrimidine-4-hy-droxy-benzoic acid (1/1).

Project description:The base mol-ecule of the title co-crystal, C7H10N2O2S·C7H6O3, is essentially planar, with a maximum deviation of 0.0806?(14)?Å for all non-H atoms. The acid mol-ecule is also nearly planar, with a dihedral angle of 8.12?(14)° between the benzene ring and the carb-oxy group. In the crystal, the acid mol-ecules form an inversion dimer through a pair of O-H?O hydrogen bonds with an R2(2)(8) ring motif. The pyrimidine mol-ecules are linked on both sides of the dimer into a heterotetra-mer via O-H?N and C-H?O hydrogen bonds with R2(2)(8) ring motifs. The heterotetra-mers are further linked by weak C-H?O hydrogen bonds, forming a tape structure along [1-10].

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