128 research outputs found

    1-[(Cyclo­propyl­meth­oxy)meth­yl]-5-ethyl-6-(4-methyl­benzyl)-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione

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    The pyrimidine ring in the title compound, C19H24N2O3, is nearly planar (r.m.s. deviation = 0.008 Å); the C atom at the 5-position deviates by 0.054 (3) Å from the mean plane and the C atom at the 6-position by 0.006 (3) Å in the opposite direction. The benzene ring is approximately perpendicular to the pyrimidine ring [dihedral angle = 83.90 (10)°]. The amino group is hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol­ecule, the hydrogen bond generating an inversion dimer. The cyclo­propyl ring is disordered over two sets of sites with the major component having 71.5 (4)% occupancy

    2-[(2-Meth­oxy­eth­yl)sulfan­yl]-4-(2-methyl­prop­yl)-6-oxo-1,6-dihydro­pyrimidine-5-carbonitrile

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    In the title compound, C12H17N3O2S, the 4-methyl-2-methyl­sulfanyl-6-oxo-1,6-dihydro­pyrimidine-5-carbonitrile part of the mol­ecule is almost planar (r.m.s deviation = 0.062 Å). In the crystal, mol­ecules form centrosymmetric dimers via pairs of N—H⋯O hydrogen bonds

    Crystal structures of 4-phenylpiperazin-1-ium 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide and 4-phenylpiperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide

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    The title molecular salts, C10H15N2+·C6H6ClN2O2−, (I), and C10H15N2+·C7H8ClN2O2−, (II), consist of 4-phenylpiperazin-1-ium cations with a 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide anion in (I) and a 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide anion in (II). Salt (I) crystallizes with two independent cations and anions in the asymmetric unit. In the crystal structures of both salts, the ions are linked via N—H...O and N—H...N hydrogen bonds, forming sheets which are parallel to (100) in (I) and to (001) in (II). In (I), the sheets are linked via C—H...Cl hydrogen bonds, forming a three-dimensional framework

    6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(3-phenyl­prop­oxy)meth­yl]-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione

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    The pyrimidine ring of the title compound, C25H30N2O3, is approximately planar (r.m.s. deviation = 0.003 Å); the C atom at the 5-position deviates by 0.012 (3) Å from the mean plane and the C atom at the 6-position by 0.038 (3) Å. In the mol­ecule, the pyrimidine ring is oriented at 86.72 (9) and 59.75 (9)° with respect to the two benzene rings, and the two benzene rings are inclined to each other at 58.35 (9)°. In the crystal, the amino group is hydrogen-bond donor to the exocyclic O atom at the 4-position of an adjacent mol­ecule, the hydrogen bond generating an inversion dimer

    6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(2-phen­oxy­eth­oxy)meth­yl]-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione

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    The six-membered ring of the uracil part of the title compound, C24H28N2O4, is nearly planar (r.m.s. deviation = 0.013 Å); the aromatic ring of the 3,5-dimethyl­benzyl substitutent is aligned at 85.4 (1)° with respect to this mean plane. The phenyl ring of the substituent at the 1-position takes up two orientations in a 1:1 ratio. In the crystal, two mol­ecules are liked by a pair of N—H⋯O hydrogen bonds, generating a centrosymmetric hydrogen-bonded dimer

    2-Eth­oxy­methyl-6-ethyl-2,3,4,5-tetra­hydro-1,2,4-triazine-3,5-dione

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    The 1,2,4-triazine ring of the title compound, C8H13N3O3, is nearly planar (r.m.s. deviation = 0.019 Å). The imino group is hydrogen-bond donor to the exocyclic O atom at the 5-position of an adjacent mol­ecule, the N—H⋯O hydrogen bond generating a chain parallel to the b axis

    2-Benzyl­sulfanyl-4-pentyl-6-(phenyl­sulfan­yl)pyrimidine-5-carbonitrile

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    In the title pyrimidine derivative, C23H23N3S2, the phenyl­sulfanyl and benzyl­sulfanyl benzene rings are orientated away from the carbonitrile group and are twisted out of the plane of the central ring with dihedral angles of 77.66 (6) and 64.73 (5)°, respectively. The n-pentyl group has an extended trans conformation. In the crystal, supra­molecular layers in the ab plane are sustained by C—H⋯π and π–π inter­actions [pyrimidine–phenyl­sulfanyl centroid–centroid distance = 3.8087 (7) Å]

    3-[(N-Methyl­anilino)meth­yl]-5-(thio­phen-2-yl)-1,3,4-oxadiazole-2(3H)-thione

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    In the title compound, C14H13N3OS2, the thio­phene ring is disordered over two orientations by ca 180° about the C—C bond axis linking the ring to the rest of the mol­ecule, with a site-occupancy ratio of 0.651 (5):0.349 (5). The central 1,3,4-oxadiazole-2(3H)-thione ring forms dihedral angles of 9.2 (5), 4.6 (11) and 47.70 (7)° with the major and minor parts of the disordered thio­phene ring and the terminal phenyl ring, respectively. In the crystal, no significant inter­molecular hydrogen bonds are observed. The crystal packing is stabilized by π–π inter­actions [centroid–centroid distance = 3.589 (2) Å]

    3-(Adamantan-1-yl)-4-ethyl-1H-1,2,4-triazole-5(4H)-thione

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    In the title compound, C14H21N3S, the 1,2,4-triazole ring is nearly planar, with a maximum deviation of 0.003 (4) Å. In the crystal, mol­ecules are linked into inversion dimers by pairs of N—H⋯S hydrogen bonds
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