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2,4-Diamino-5-(4-chloro-phen-yl)-6-ethyl-pyrimidin-1-ium 2-acet-amido-benzoate.

ABSTRACT: The title compound, C(12)H(14)ClN(4) (+)·C(9)H(8)NO(3) (-), is a salt with a 1:1 ratio of cation and anion components inter-acting with each other forming an R(2) (2)(8) ring motif. The crystal structure is stabilized by hydrogen bonds (N-H⋯O) involving two different eight-membered rings. One of them is formed between the pyrimidine ring (donor) and the carboxylate group (acceptor) from the benzoate, whereas the other ring is formed by N-H⋯O interactions, which help to form a dimer between two symmetry-related salts in the unit cell. In addition, an intramolecular C-H⋯N and intermolecular C-H⋯Cl interactions help to control the molecules in the unit-cell packing.

SUBMITTER: Natarajan S

PROVIDER: S-EPMC3200980 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2,4-Diamino-5-(4-chloro-phen-yl)-6-ethyl-pyrimidin-1-ium 2-propanamido-benzoate.

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Bis(2,6-diamino-4-chloro-pyrimidin-1-ium) fumarate.

Project description:In the title salt, 2C4H6ClN4(+)·C4H2O4(2-), the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is essentially planar, with a maximum deviation of 0.018 (1) Å. In the anion, the carboxyl-ate group is twisted slightly away from the attached plane, the dihedral angle between the carboxyl-ate and (E)-but-2-ene planes being 12.78 (13)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R2(2)(8) ring motif. In addition, another type of R2(2)(8) motif is formed by centrosymmetrically related pyrimidinium cations via N-H⋯N hydrogen bonds. These two combined motifs form a heterotetra-mer. The crystal structure is further stabilized by stong N-H⋯O, N-H⋯Cl and weak C-H⋯O hydrogen bonds, resulting a three-dimensional network.

| S-EPMC3588928 | biostudies-literature

2-(2,4-Di-chloro-phen-oxy)-<i>N</i>'-[2-(2,4-di-chloro-phen-oxy)acet-yl]acetohydrazide.

Project description:The complete mol-ecule of the title compound, C16H12Cl4N2O4, is generated by a crystallographic centre of symmetry. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into [010] chains featuring R 2 2(10) loops. The chains are cross-linked by short Cl⋯N contacts [3.224 (2) Å].

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Bifenox: methyl 5-(2,4-di-chloro-phen-oxy)-2-nitro-benzoate.

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2,4-Diamino-6-methyl-1,3,5-triazin-1-ium nitrate.

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(E)-1-[1-(2-Chloro-phen-yl)ethyl-idene]-2-(2,4-dinitro-phen-yl)hydrazine.

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2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate.

Project description:The title compound, C(4)H(8)N(5) (+)·C(2)HO(4) (-), was obtained from the reaction of oxalic acid and 2,4-diamino-6-methyl-1,3,5-triazine. The protonated triazine ring is essentially planar with a maximum deviation of 0.035 (1) Å, but the hydrogen oxalate anion is less planar, with a maximum deviation of 0.131 (1) Å for both carbonyl O atoms. In the crystal, the ions are linked by inter-molecular N-H⋯O, N-H⋯N, O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network. Weak π-π [centroid-centroid distance = 3.763 Å] and C-O⋯π inter-actions [O⋯centroid = 3.5300 (16) Å, C-O⋯centroid = 132.19 (10)°] are also present.

| S-EPMC3344586 | biostudies-literature

Crystal structures of 4-phenyl-piperazin-1-ium 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide and 4-phenyl-piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide.

Project description:The title mol-ecular salts, C10H15N2 (+)·C6H6ClN2O2 (-), (I), and C10H15N2 (+)·C7H8ClN2O2 (-), (II), consist of 4-phenyl-piperazin-1-ium cations with a 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide anion in (I) and a 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide anion in (II). Salt (I) crystallizes with two independent cations and anions in the asymmetric unit. In the crystal structures of both salts, the ions are linked via N-H⋯O and N-H⋯N hydrogen bonds, forming sheets which are parallel to (100) in (I) and to (001) in (II). In (I), the sheets are linked via C-H⋯Cl hydrogen bonds, forming a three-dimensional framework.

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2-Phen-oxy-ethyl benzoate.

Project description:In the title compound, C15H14O3, the dihedral angle between the benzene rings is 75.85?(7)°. In the crystal, centrosymmetrically related mol-ecules are weakly associated through pairs of inter-actions between a benzene ring and an O atom of the ester group [ring centroid?O = 3.952?(7)?Å], and through pairs of inter-actions between the other benzene ring and an O atom of the phen-oxy group [ring centroid?O = 3.912?(7)?Å], giving chains extending along [110].

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(Z)-Ethyl 2-(4-chloro-phen-yl)-3-[(2,4-difluoro-phen-yl)amino]-prop-2-enoate.

Project description:In the title compound, C(17)H(14)ClF(2)NO(2), the amino-acrylo-yloxy group makes dihedral angles of 47.55?(11)° with the 4-chloro-phenyl group and 8.74?(12)° with the difluoro-phenyl group; the dihedral angle between the rings is 52.32?(11)°. The structure of the title compound reveals a Z configuration with respect to the C=C double bond in the amino-acrylate fragment. A bifurcated intramolecular N-H?(O,F) hydrogen bond occurs. In the crystal, molecules are linked into chains by C-H?O hydrogen bonds.

| S-EPMC3009196 | biostudies-literature

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