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2-Amino-5,7-bis-(4-fluoro-phen-yl)-1',3'-dimethyl-7,8-dihydro-spiro-[pyrido[2,3-d]pyrimidine-6(5H),5'-pyrimidine]-2',4,4',6'(3H,1'H,3'H,5'H)-tetra-one ethanol solvate.

ABSTRACT: In the mol-ecule of the title compound, C(24)H(20)F(2)N(6)O(4)·C(2)H(5)OH, the pyrimidine ring is oriented at dihedral angles of 42.64?(3) and 62.94?(3)° with respect to the benzene rings, while the dihedral angle between the benzene rings is 74.45?(3)°. The pyridine ring adopts an envelope conformation. In the crystal structure, inter-molecular N-H?O and O-H?N hydrogen bonds link the mol-ecules into a two-dimensional network, forming R(2) (2)(8) ring motifs. ?-? contacts between the pyrimidine and benzene rings [centroid-centroid distances = 3.516?(1) and 3.927?(1)?Å] may further stabilize the structure.

PROVIDER: S-EPMC2969385 | BioStudies |

REPOSITORIES: biostudies

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Crystal structure of 4,6-bis-[(E)-4-bromo-styr-yl]-2-(butyl-sulfan-yl)pyrimidine.

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Project description:In the title compound, C(35)H(32)N(4)O(4), the pyrazole ring forms a dihedral angle of 15.04?(8)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.95?(8) and 1.86?(7)° with its adjacent meth-oxy-substituted benzene rings, whereas the equivalent angles are 80.24?(9) and 11.55?(9)° for the pyrazole ring and its adjacent benzene rings. The crystal packing features ?-? inter-actions, the centroid-centroid distance between the pyrimidine and methoxyphenyl rings being 3.604?(1)?Å. The pyrazole ring is nearly planar, with a maximum deviation of 0.020?(3)?Å for the -CH(2)- carbon.

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2-[3,5-Bis-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,6-bis(4-fluoro-phenyl)pyrimidine.

Project description:In the title compound, C(31)H(20)F(4)N(4), the pyrazole ring adopts an envelope conformation and forms a dihedral angle of 9.91?(6)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.23?(6) and 2.16?(5)° with its adjacent fluoro-substituted benzene rings, whereas these angles are 88.22?(6) and 9.66?(6)° for the pyrazole ring and its adjacent benzene rings. In the crystal, mol-ecules are linked by C-H?F hydrogen bonds into ribbons along [01-1]. The crystal packing is further stabilized by C-H?? and by ?-? inter-actions, with centroid-centroid distances of 3.7428?(7) and 3.7630?(6)?Å.

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Project description:In the title compound, C(22)H(20)ClN(3)S(2), the S-bound benzene rings are inclined [dihedral angles = 78.13?(10) and 36.70?(9)°] with respect to the pyrimidine ring. The methyl-propyl group occupies a position normal to the pyrimidine ring [N-C-C-C torsion angle = 92.3?(2)°]. In the crystal, supra-molecular layers are formed in the bc plane, being consolidated by C-H?? and ?-? inter-actions, the latter between the pyrimidine and S-bound benzene rings [inter-centroid distance = 3.7683?(12)?Å].

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2-[3-Meth-oxy-5-(pyrimidin-2-yl)phen-yl]pyrimidine.

Project description:The title compound, C15H12N4O, was synthesized by a standard Suzuki cross-coupling reaction. The terminal pyrim-idine rings are rotated at dihedral angles of 12.06?(4) and -13.13?(4)° with respect to the central benzene ring. In the crystal, the mol-ecules are connected by two kinds of C-H?N hydrogen bonds, forming zigzag chains along the c axis. Weak ?-? inter-actions between the benzene and one of the pyrimidine rings are also found and stack the mol-ecules along the b axis [centroid-centroid distance = 4.112?(3)?Å].

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Project description:In the title compound, C(25)H(22)N(2)O(3)S, the sulfonyl-bound benzene ring forms dihedral angles of 36.8?(2) and 81.4?(2)°, respectively, with the formyl-benzene and methyl-benzene rings. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(5) ring motif. The crystal packing is stabilized by C-H?O hydrogen bonds, which generate C(11) chains along the b axis. The crystal packing is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.927?(2)?Å].

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2-Benzyl-sulfanyl-4-pentyl-6-(phenyl-sulfan-yl)pyrimidine-5-carbonitrile.

Project description:In the title pyrimidine derivative, C(23)H(23)N(3)S(2), the phenyl-sulfanyl and benzyl-sulfanyl 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, supra-molecular layers in the ab plane are sustained by C-H?? and ?-? inter-actions [pyrimidine-phenyl-sulfanyl centroid-centroid distance = 3.8087?(7)?Å].

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(2Z)-Ethyl 5-(4-methoxy-phen-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxy-benzyl-idene)-3,5-dihydro-2H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Project description:In the title compound, C(27)H(28)N(2)O(7)S, the dihedral angles between the thia-zole ring and the mono- and tris-ubstituted benzene rings are 87.8?(2) and 17.9?(3)°, respectively. The dihydro-pyrimidine ring adopts a flattened boat conformation. In the crystal structure, ?-? stacking occurs [centroid-centroid separation = 3.6611?(11)?Å].

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