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1-Allyl-4-(1,3-benzothia-zol-2-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one.

ABSTRACT: The title compound, C(20)H(17)N(3)OS, is a 1H-pyrazol-3(2H)-one having aromatic 4-(1,3-benzothia-zol-2-yl)- and 2-phenyl substituents. The five-membered ring and fused ring system are planar, the r.m.s. deviations being 0.021 and 0.005 Å, respectively. The five-membered ring is aligned at 7.9 (2)° with respect to the fused-ring system. The allyl and phenyl parts of the mol-ecule are both disordered over two positions in a 1:1 ratio. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

SUBMITTER: Chakib I

PROVIDER: S-EPMC3008974 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(1,3-Benzothia-zol-2-yl)-5-methyl-2-phenyl-1-propynyl-1H-pyrazol-3(2H)-one.

Project description:The title compound, C(20)H(15)N(3)OS, is a 1H-pyrazol-3(2H)-one having aromatic 4-(1,3-benzothia-zol-2-yl) and 2-phenyl substit-uents. The five-membered ring and the fused-ring system are close to planar, the r.m.s. deviations being 0.025 and 0.005 Å, respectively. The five-membered ring is aligned at 67.5 (1)° with respect to the phenyl ring and at 4.7 (1)° with respect to the fused-ring system. In the crystal, adjacent mol-ecules are linked through the acetyl-enic H atom by a C-H⋯O hydrogen bond into C(8) chains propagating in [010].

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Project description:The central five-membered ring of the title compound, C(18)H(15)N(3)OS, is almost planar (r.m.s. deviation = 0.028?Å) and the benzothia-zole fused-ring system is close to coplanar with this ring [dihedral angle = 6.1?(1)°]. The phenyl substituent is twisted by 62.5?(1)°.

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Project description:In the title compound, C(17)H(13)N(3)OS, the dihedral angle between the ring systems is 2.22?(5)°. The N-H grouping participates in both intra- and intermolecular N-H?O hydrogen bonds, the latter leading to dimers related by a twofold rotation axis.

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Project description:In the mol-ecule of the title compound, C(22)H(20)ClN(5)O, the atoms of the two pyrazole rings and the -C=N- group which joins them are essentially coplanar, with an r.m.s. deviation of 0.054?(2)?Å. The phenyl rings form dihedral angles of 41.24?(5) and 55.53?(5)° with this plane. The crystal structure is stabilized by weak inter-molecular ?-? inter-actions, with centroid-to-centroid distances of 3.6179?(13)?Å between the imidazole rings.

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4-[(5-Hydr-oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenyl-meth-yl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one ethanol hemisolvate.

Project description:The asymmetric unit of the title compound, C(27)H(24)N(4)O(2)·0.5C(2)H(6)O, comprises two crystallographically independent mol-ecules (A and B) with slightly different conformations, and one ethanol mol-ecule of crystallization. Intra-molecular C-H⋯O and O-H⋯O hydrogen bonds generate six- and eight-membered rings, producing S(6) and S(8) ring motifs, respectively. In mol-ecule A, one of the benzene rings is disordered over two positions, with site-occupancy factors of 0.542 (11) and 0.458 (11). The dihedral angles between the central benzene ring and the two outer benzene rings are 73.88 (9) and 82.6 (2)/88.9 (2)° in mol-ecule A, and 80.81 (8) and 79.38 (8)° in mol-ecule B. In the crystal structure, mol-ecules form infinite one-dimensional chains in the (101) plane. The crystal structure is stabilized by inter-molecular O-H⋯N, N-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds, weak C-H⋯π and π-π [centroid-centroid = 3.5496 (1) Å] inter-actions.

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4-{[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:The title Schiff base compound, C(23)H(23)N(5)O, was synthesized by the reaction of 4-amino-phenazone and 3,5-dimethyl-1-phenyl-pyrazole-4-carbaxaldehyde. The mol-ecule adopts an E configuration about the central C=N double bond. A weak intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The dihedral angle between the pyrazole rings is 24.72?(10)° and the dihedral angles between the pyrazole rings and the adjacent phenyl rings are 58.67?(10) and 46.58?(11)°. The crystal structure is stabilized by weak C-H?? inter-actions involving the pyrazolone and phenyl rings.

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1,5-Dimethyl-2-phenyl-4-[phenyl(pyri-din-2-ylamino)methyl]-1H-pyrazol-3(2H)-one.

Project description:In the title compound, C(23)H(22)N(4)O, the pyrazole ring makes dihedral angles of 45.57?(11)° with the attached phenyl ring, and 83.98?(10) and 67.85?(10) °, respectively, with the other phenyl ring and the pyridyl ring. The pyridyl ring makes a dihedral angle of 80.15?(10)° with the adjacent phenyl ring. In the crystal, N-H?O hydrogen bonds supplemented by weak C-H?O hydrogen bonds link the mol-ecules into chains which run parallel to the a-axis direction.

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4-(4-Chloro-benz-yl)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:The five-membered ring of the title compound, C(17)H(15)ClN(2)O, is almost planar (r.m.s. deviation = 0.008?Å), and its phenyl subsitutent is aligned at 34.9?(1)° with respect to this ring. The angle at the methyl-ene C atom is opened to 116.4?(2)°. In the crystal, adjacent mol-ecules are linked by an N-H?O hydrogen bond, generating a linear chain along the a axis.

| S-EPMC3089257 | biostudies-literature

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