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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.

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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].

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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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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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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⋯π and π-π 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.

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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).

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