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2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methyl-nicotinic acid.

ABSTRACT: In the title herbicideh/phytocide, known as imaza-pic, C(14)H(17)N(3)O(3), the pyridine and imidazole rings are almost coplanar [dihedral angle = 3.08?(5)°]. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, an N-H?O hydrogen bond links mol-ecules into a chain parallel to [010].

SUBMITTER: Liu LP

PROVIDER: S-EPMC3379288 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methyl-nicotinic acid.

Liu Li-Ping LP Wang Xiao-Dan XD Zhang Shuang S Gao Jin-Sheng JS

Acta crystallographica. Section E, Structure reports online 20120512 Pt 6

In the title herbicideh/phytocide, known as imaza-pic, C(14)H(17)N(3)O(3), the pyridine and imidazole rings are almost coplanar [dihedral angle = 3.08 (5)°]. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, an N-H⋯O hydrogen bond links mol-ecules into a chain parallel to [010]. ...[more]

PMID: 22719486

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(±)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid.

Project description:In the title compound, C(15)H(19)N(3)O(3), owing to an intra-molecular O-H?N hydrogen bond, the pyridine and imidazole rings are nearly coplanar and are twisted from each other by a dihedral angle of only 0.92?(9)°. The mol-ecules are linked through inter-molecular N-H?O hydrogen bonding, forming an infinite chain parallel to the b axis.

| S-EPMC2961475 | biostudies-literature

Diaqua-bis-[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinato]cobalt(II).

Project description:In the title complex, [Co(C(13)H(14)N(3)O(3))(2)(H(2)O)(2)], the Co(II) atom has a distorted octa-hedral coordination, formed by four N atoms from two (±)-2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinate ligands and two O atoms from two water mol-ecules. Intra-molecular N-H?O and O-H?O hydrogen bonds are present. In the crystal, inter-molecular O-H?O hydrogen bonds link the complex mol-ecules into a chain along [010].

| S-EPMC3011445 | biostudies-literature

Diaqua-bis-[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl-?N)nicotinato-?N]manganese(II).

Project description:In the title compound, [Mn(C(13)H(14)N(3)O(3))(2)(H(2)O)(2)], the Mn(II) ion is coordinated by four N atoms from two (±)-2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinate ligands and two water mol-ecules in a distorted octa-hedral environment. Inter-molecular O-H?O hydrogen bonds lead to a chain along [010]. Intra-molecular N-H?O and O-H?O hydrogen bonds are observed.

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2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium chloride.

Project description:In the crystal structure of the title compound, C(4)H(8)N(3)O(+)·Cl(-), N-H⋯Cl hydrogen bonds link the components into chains along [010]. In addition, weak C-H⋯Cl hydrogen bonds link the chains into a two-dimensional network perpendicular to (001).

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2-[4-(4,5-Dihydro-1H-imidazol-2-yl)phen-yl]-4,5-dihydro-1H-imidazol-3-ium 4-amino-benzoate.

Project description:In the cation of the title compound, C(12)H(15)N(4) (+)·C(7)H(6)NO(2) (-), the benzene ring makes dihedral angles of 30.51?(9) and 25.64?(9)° with the imidazole and imidazolinium rings, respectively. In the crystal, inter-molecular N-H?O and N-H?N hydrogen-bonding inter-actions link the mol-ecules into a three-dimensional network.

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3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydroxy-indolin-2-one monohydrate.

Project description:Two chiral centres exist in the title compound, C(12)H(12)N(4)O(3)·H(2)O. Mol-ecules are linked into chains by series of inter-molecular N-H?O and O-H?N hydrogen bonds, which causes supra-molecular aggregation. Two chiral centres are formed in the title compound. The indole and creatinine moieties make a dihedral angle of 56.75?(4)°. The crystal structure of the compound indicates the presence of equimolar enantio-mers (RR and SS) in the crystal structure.

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2-(4,5-Dihydro-1H-imidazol-2-yl)-pyridine.

Project description:In the mol-ecule of the title compound, C(8)H(9)N(3), a new imidazoline derivative, the six- and five-membered rings are slightly twisted away from each other, forming a dihedral angle of 7.96?(15)°. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular N-H?N hydrogen bonds into extended one-dimensional chains along the a axis. The pyridine N atom is in close proximity to a carbon-bound H atom of the imidazoline ring, with an H?N distance of 2.70?Å, which is slightly shorter than the sum of the van der Waals radii of these atoms (2.75?Å). The crystal structure is further stabilized by inter-molecular C-H?? and ?-? inter-actions (centroid-to-centroid distance 3.853?Å).

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4-[3,4-Dimethyl-1-(4-methyl-phen-yl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-3,4-dimethyl-1-(4-methyl-phen-yl)-4,5-dihydro-1H-pyrazol-5-one.

Project description:In the title compound, C(24)H(26)N(4)O(2), the complete mol-ecule is generated by the application of twofold symmetry. The pyrazole ring is approximately planar [r.m.s. deviation = 0.026 Å] and the benzene ring is twisted out of this plane [dihedral angle = 21.94 (7)°]. A twist in the mol-ecule about the central C-C bond [1.566 (3) Å] is also evident [C-C-C-C torsion angle = 44.30 (14)°]. Supra-molecular layers in the bc plane are formed in the crystal packing via C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3343962 | biostudies-literature

3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-5-fluoro-3-hydr-oxy-1-methyl-indolin-2-one methanol hemisolvate.

Project description:In the title compound, C(13)H(13)FN(4)O(3)·0.5CH(3)OH, mol-ecules are packed in the crystal structure by a series of O-H?N, N-H?O, N-H?F and O-H?O inter-molecular hydrogen bonds. The indole and creatinine units make a dihedral angle of 60.80?(4)°.

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3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydr-oxy-1-phenyl-indolin-2-one ethanol solvate.

Project description:In the title compound, C(18)H(16)N(4)O(3)·C(2)H(5)OH, mol-ecules are linked into chains by a series of inter-molecular N-H?O, N-H?N and O-H?O hydrogen bonds which stabilize the crystal structure. The indole and creatinine units make a dihedral angle of 56.45?(4)°. The title compound has two chiral centres. The crystal structure indicates the compound is racemic (RR and SS).

| S-EPMC2970360 | biostudies-literature

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