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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.

ABSTRACT: 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).

SUBMITTER: Penthala NR

PROVIDER: S-EPMC2970360 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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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.

Penthala Narsimha Reddy NR Reddy Thirupathi Reddy Yerram TR Parkin Sean S Crooks Peter A PA

Acta crystallographica. Section E, Structure reports online 20090912 Pt 10

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). ...[more]

PMID: 21577895

Similar Datasets

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)°.

| S-EPMC2971372 | biostudies-literature

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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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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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: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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Project description:In the title compound, C24H22N2O2, the central imidazole ring makes dihedral angles of 49.45?(8), 88.94?(9) and 19.43?(8)° with the benzene ring and the two phenyl rings, respectively. The dihedral angle between the phenyl rings is 77.86?(9)°, and they form dihedral angles of 49.06?(9) and 67.31?(8)° with the benzene ring. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds, forming chains along the b axis. These chains are connected by C-H?O hydrogen bonds, forming a two-dimensional network parallel to (100). In addition, C-H?? inter-actions are also observed. The terminal C and O atoms of the ethanol group are disordered over two sets of sites with an occupancy ratio of 0.801?(5):0.199?(5).

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

Project description: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].

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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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Project description:In the mol-ecule of the title compound, C(12)H(15)N(3)O(2), the pyrazole ring is oriented at a dihedral angle of 49.64?(6)° with respect to the benzene ring. Intra-molecular O-H?O, N-H?O and C-H?O inter-actions result in the formation of a trifurcated hydrogen bond. In the crystal structure, inter-molecular N-H?O and O-H?N hydrogen bonds link the mol-ecules, forming a network structure.

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