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5-Methoxy-methyl-4-phen-oxy-1H-pyrazol-3-ol.

ABSTRACT: In the title compound, C(11)H(12)N(2)O(3), the pyrazole ring system is essentially planar [maximum deviation = 0.002 (2) Å] and forms a dihedral angle of 66.93 (9)° with the benzene ring. In the crystal packing, pairs of inter-molecular N-H⋯O and O-H⋯N hydrogen bonds connect neighbouring mol-ecules into dimers, generating R(2) (2)(10) and R(2) (2)(8) ring motifs, respectively. The crystal structure is further stabilized by C-H⋯π inter-actions.

SUBMITTER: Shahani T

PROVIDER: S-EPMC2971925 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-Ethyl-4-phen-oxy-1-(2,2,2-trifluoro-eth-yl)-1H-pyrazol-5-ol.

Project description:The title compound, C(13)H(13)F(3)N(2)O(2), crystallizes with two independent mol-ecules in the asymmetric unit, with different conformations of their ethyl side chains. The dihedral angles formed between the 1H-pyrazole and benzene rings in the two mol-ecules are 79.44?(6) and 77.81?(6)°. In the crystal, mol-ecules are linked by O?H-N hydrogen bonds into chains propagating along [001] and the packing is further stabilized by ?-? inter-actions [centroid-centroid separations = 3.5409?(10) and 3.6335?(10)?Å].

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1-Methyl-3-trifluoro-methyl-1H-pyrazol-5-ol.

Project description:In the title compound, C(5)H(5)F(3)N(2)O, the F atoms are disordered over two sets of sites in a 0.64?(3):0.36?(3) ratio. In the crystal structure, O-H?N hydrogen bonds link the mol-ecules into chains and a short C-H?F contact also occurs.

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1-(4-Chloro-phen-yl)-1H-pyrazol-3-ol.

Project description:In the title compound, C(9)H(7)ClN(2)O, the dihedral angle between the aromatic ring planes is 11.0?(2)°. In the crystal, inversion dimers linked by pairs of O-H?N hydrogen bonds generate R(2) (2)(8) loops.

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(2E)-2-[(3-Methyl-5-phen-oxy-1-phenyl-1H-pyrazol-4-yl)methyl-idene]hydrazinecarbothio-amide.

Project description:In the title compound, C(18)H(17)N(5)OS, the mean plane of the pyrazole ring [maximum deviation = 0.0031 (12) Å] forms dihedral angles of 19.6 (4) and 9.3 (5)° with the two disorder components of the N-bound benzene ring (with equal occupancies for the two orientations) and a dihedral angle of 72.58 (8)° with the C-O-bonded benzene ring. The mol-ecule exists in a trans conformation with respect to the N=C bond [1.2792 (19) Å]. The mol-ecular structure features an intra-molecular C-H⋯O hydrogen bond, forming an S(6) ring. In the crystal, N-H⋯N and N-H⋯S hydrogen bonds result in the formation of zigzag layers lying parallel to (10-1).

| S-EPMC3393955 | biostudies-literature

(4Z)-4-[(4-Methoxy-benzyl-amino)(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the title compound, C(25)H(23)N(3)O(2), the dihedral angles formed by the pyrazolone ring with the three aromatic rings are 14.59?(7), 79.35?(5) and 87.10?(6)°. Three intra-molecular C-H?O, C-H?N and N-H?O hydrogen-bond inter-actions are present. The crystal structure is stabilized by two weak inter-molecular C-H?O and C-H?N hydrogen-bond inter-actions.

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(4Z)-4-[(2E)-1-Hydr-oxy-3-(4-methoxy-phen-yl)prop-2-en-ylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:The title compound, C(20)H(18)N(2)O(4), is a chalcone derivative of pyrazole. The pyrazole ring is inclined at a dihedral angle of 19.29 (12)° to the methoxy-phenyl ring mean plane, and by 1.19 (13)° to the phenyl ring. The mol-ecular structure is stabilized by an intra-molecular O-H⋯O hydrogen bond, making an almost planar (r.m.s. deviation = 0.0243 Å) six membered ring.

| S-EPMC2972098 | biostudies-literature

1-(4-Methoxy-phen-yl)-3-phenyl-1H-pyrazol-5-amine.

Project description:The synthesis of the title compound, C(16)H(15)N(3)O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 Å) methoxy-benzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An inter-molecular N-H⋯N hydrogen bond links symmetry-related mol-ecules into a C(5) chain, which runs parallel to the b axis.

| S-EPMC2977835 | biostudies-literature

4-[(4-Chloro-phen-yl)(5-hydr-oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)meth-yl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the the title compound, C(27)H(23)ClN(4)O(2), the chloro-phenyl ring forms dihedral angles of 77.70 (9) and 86.65 (9)°, respectively, with the pyrazol-3-one and pyrazole rings. The phenyl rings attached to the pyrazole rings are twisted away from them [dihedral angles 33.80 (9) and 40.34 (10)°]. An intramolecular O-H⋯O hydrogen bond generates an S(8) ring motif. The mol-ecules are linked into chains running along the c axis by N-H⋯N hydrogen bonds, and the chains are cross-linked via C-H⋯O hydrogen bonds and C-H⋯π inter-actions involving the chloro-phenyl ring.

| S-EPMC2959842 | biostudies-literature

4-Methyl-5-phenyl-1H-pyrazol-3-ol.

Project description:The title compound, C(10)H(10)N(2)O, crystallizes with two independent mol-ecules in the asymmetric unit, having closely comparable geometries. The dihedral angles between the 1H-pyrazole and benzene rings in the two mol-ecules are 39.57?(14) and 41.95?(13)°. The two mol-ecules are each connected to neighbouring mol-ecules by pairs of inter-molecular O-H?N hydrogen bonds, forming dimers with R(2) (2)(8) ring motifs. These dimers are further linked into R(4) (4)(10) ring motifs by inter-molecular N-H?O hydrogen bonds, forming chains along [101]. The crystal structure is further stabilized by a C-H?? inter-action.

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2-(2,4-Dichloro-phen-oxy)-1-(1H-pyrazol-1-yl)ethanone.

Project description:In the title compound, C(11)H(8)Cl(2)N(2)O(2), the 2,4-dichloro-phen-oxy and 1H-pyrazole groups are almost planar [r.m.s. deviations of 0.0157 and 0.0008?Å, respectively] and are oriented at a dihedral angle of 64.17?(5)° with respect to one another. In the crystal, the mol-ecules are stabilized in the form of dimers due to inversion-related C-H?O hydrogen bonds, with R(2) (2)(10) ring motifs.

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