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Methyl 2-(2-{[(benz-yloxy)carbon-yl]amino}-propan-2-yl)-5-hy-droxy-6-oxo-1,6-dihydro-pyrimidine-4-carboxyl-ate.

ABSTRACT: In the title compound, C(17)H(19)N(3)O(6), the dihedral angle between the two aromatic rings is 45.9?(1)°. The crystal structure is stabilized through inter-molecular N-H?O hydrogen bonds and intra-molecular O-H?O hydrogen bonds are also present.

SUBMITTER: Shang Z

PROVIDER: S-EPMC3120555 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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Methyl 2-(2-{[(benz-yloxy)carbon-yl]amino}-propan-2-yl)-5-hy-droxy-6-oxo-1,6-dihydro-pyrimidine-4-carboxyl-ate.

Shang Zhenhua Z Ha Jing J Yu Yifeng Y Zhao Xiaodan X

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

In the title compound, C(17)H(19)N(3)O(6), the dihedral angle between the two aromatic rings is 45.9 (1)°. The crystal structure is stabilized through inter-molecular N-H⋯O hydrogen bonds and intra-molecular O-H⋯O hydrogen bonds are also present. ...[more]

PMID: 21754732

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Methyl 2-[2-(benzyl-oxycarbon-ylamino)-propan-2-yl]-5-hy-droxy-1-methyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxyl-ate.

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Project description:In the title compound, C(18)H(21)N(3)O(6), a pyrimidine derivative, the dihedral angle between the benzene and pyrimidine rings is 52.26 (12)°. The carboxyl-ate unit is twisted with respect to the pyrimidine ring, making a dihedral angle of 12.33 (7)°. In the crystal, mol-ecules are linked by a pair of O-H⋯O hydrogen bonds, forming an inversion dimer. The dimers are stacked into columns along the b axis through weak C-H⋯O inter-actions.

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Project description:In the crystal structure of the title compound, C(22)H(25)NO(4), inter-molecular O-H?O hydrogen bonds involving the hy-droxy group of the 4-(amimometh-yl)phenol fragment and the C=O group connect the mol-ecules into infinite chains along the c axis. Two C atoms of the propyne group are disordered over two sites with occupancy factors of 0.53?(2) and 0.47?(2).

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