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N-Cyclo-propyl-N-[2-(2,4-difluoro-phen-yl)-2-hy-droxy-1-(1H-1,2,4-triazol-1-yl)prop-yl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-yl)acetamide dichloro-methane 0.62-solvate.

ABSTRACT: In the title compound, C(21)H(22)F(2)N(6)O(4)·0.62CH(2)Cl(2), the difluoro-substituted benzene ring forms dihedral angles of 54.6?(3)° with the mean plane of the thymine ring and 50.9?(2)° with the triazole ring. The dihedral angle between the thymine and triazole rings is 7.4?(3)°. In the crystal, inter-molecular N-H?N and O-H?O hydrogen bonds link the main mol-ecules into chains along [10[Formula: see text]]. The CH(2)Cl(2) solvent mol-ecule was refined as partial occupancy over two sets of sites with refined occupancies of 0.308?(9) and 0.310?(8).

SUBMITTER: Wang N 

PROVIDER: S-EPMC3200716 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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N-Cyclo-propyl-N-[2-(2,4-difluoro-phen-yl)-2-hy-droxy-1-(1H-1,2,4-triazol-1-yl)prop-yl]-2-(5-methyl-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-yl)acetamide dichloro-methane 0.62-solvate.

Wang Nan N   Guo Huan-Mei HM   Hou Gui-Ge GG   Hu Xin-Yue XY   Meng Qing-Guo QG  

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the title compound, C(21)H(22)F(2)N(6)O(4)·0.62CH(2)Cl(2), the difluoro-substituted benzene ring forms dihedral angles of 54.6 (3)° with the mean plane of the thymine ring and 50.9 (2)° with the triazole ring. The dihedral angle between the thymine and triazole rings is 7.4 (3)°. In the crystal, inter-molecular N-H⋯N and O-H⋯O hydrogen bonds link the main mol-ecules into chains along [10[Formula: see text]]. The CH(2)Cl(2) solvent mol-ecule was refined as partial occupancy over two sets of si  ...[more]

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