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(E)-1-(Naphthalen-1-yl)-3-(1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one.

ABSTRACT: In the title mol-ecule, C(22)H(16)N(2)O, the phenyl ring is twisted slightly with respect to the plane of the central pyrazole ring [dihedral angle = 14.8?(2)°]; the central ring is connected to the naphthyl ring through a -CH=CH-C(=O)- fragment, whose C=C double bond has an E configuration. The pyrazole ring and naphthalene ring system are twisted by 46.3?(1)°. Weak inter-molecular C-H?O hydrogen bonds link the mol-ecules, forming supra-molecular chains running along the a axis. The crystal studied was a non-merohedral twin with a component ratio of 0.544?(2):0.456?(2).

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3201529 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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(E)-1-(Naphthalen-1-yl)-3-(1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one.

Asiri Abdullah M AM Al-Youbi Abdulrahman O AO Faidallah Hassan M HM Alamry Khalid A KA Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110903 Pt 10

In the title mol-ecule, C(22)H(16)N(2)O, the phenyl ring is twisted slightly with respect to the plane of the central pyrazole ring [dihedral angle = 14.8 (2)°]; the central ring is connected to the naphthyl ring through a -CH=CH-C(=O)- fragment, whose C=C double bond has an E configuration. The pyrazole ring and naphthalene ring system are twisted by 46.3 (1)°. Weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules, forming supra-molecular chains running along the a axis. The crystal stu ...[more]

PMID: 22064894

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Crystal structure of (4Z)-4-[(2E)-1-hydroxy-3-(naphthalen-2-yl)prop-2-en-1-yl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the title compound, C23H18N2O2, the pyrazole ring subtends dihedral angles of 2.01 (13) and 1.55 (10)° with the pendant benzene ring and the naphthalene ring system, respectively. The mol-ecule is almost planar (r.m.s. deviation for the 27 non-H atoms = 0.025 Å) and intra-molecular O-H⋯O and C-H⋯O hydrogen bonds both close S(6) loops. In the crystal, very weak aromatic π-π stacking inter-actions between the benzene and the pyrazole rings, with centroid-centroid distances of 3.8913 (14) and 3.9285 (15) Å, are observed.

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(2E)-1-(2,4-Dichloro-phen-yl)-3-[3-(4-nitro-phen-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one.

Project description:In the title compound, C(24)H(15)Cl(2)N(3)O(3), the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780?Å), but the mean planes of the two components are inclined at an angle of 9.95?(7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95?(7), 24.54?(6) and 43.02?(6)° with the mean planes of the different benzene rings. In the crystal, C-H?O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter-centroid distance between two aromatic systems is 3.5455?(7)?Å and is apparent between two pyrazole systems. Further ?-? inter-actions are manifest between a pair of 4-nitro-phenyl rings [centroid-to-centroid distance = 3.6443?(7)?Å] and a pair of 2,4-dichloro-phenyl rings [centroid-to-centroid distance = 3.7797?(7)?Å].

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(E)-3-[3-(4-Bromo-phen-yl)-1-phenyl-1H-pyrazol-4-yl]-1-(2,4-dichloro-phen-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(24)H(15)BrCl(2)N(2)O, the dihedral angles betwen the pyrazole ring and its N-bonded phenyl (A) and C-bonded bromo-benzene (B) rings are 10.34 (16) and 40.95 (15)°, respectively. The dihedral angle between rings A and B is 56.89 (17)°. The title mol-ecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, mol-ecules are linked into inversion dimers by pairs of C-H⋯O hydrogen bonds, generating R(2) (2)(14) loops. The crystal structure is further consolidated by C-H⋯π inter-actions.

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(2E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-phenyl-prop-2-en-1-one.

Project description:In the title compound, C(24)H(18)N(2)O, the pyrazole ring is essentially planar [maximum deviation = 0.004?(1)?Å] and makes dihedral angles of 18.07?(4), 48.60?(4) and 9.13?(5)° with the phenyl rings. In the crystal, adjacent mol-ecules are connected via inter-molecular C-H?O hydrogen bonds, forming dimers. Furthermore, the crystal structure is stabilized by weak C-H?? and ?-? inter-actions, with centroid-centroid distances of 3.6808?(5)?Å.

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(E)-1-(2,4-Dichloro-phen-yl)-3-[3-(4-meth-oxy-phen-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one.

Project description:In the title mol-ecule, C(25)H(18)Cl(2)N(2)O(2), the dihedral angles between the pyrazole ring and its N- and C-bonded benzene rings are 8.28 (11) and 40.89 (10)°, respectively. The dihedral angle between the benzene rings is 39.03 (11)°. The title mol-ecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, mol-ecules are linked into inversion dimers by pairs of inter-molecular C-H⋯O hydrogen bonds, generating R(2) (2)(14) loops.

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(E)-1-(2,4-Dichloro-phen-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(24)H(16)Cl(2)N(2)O, the dihedral angles between the pyrazole ring and its N- and C-bonded phenyl rings are 7.06 (10) and 53.15 (10)°, respectively. The dihedral angle between the two pendant rings is 52.32 (10)°. The mol-ecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, inversion dimers occur in which each mol-ecule is linked to the other by two C-H⋯O hydrogen bonds to the same acceptor O atom. There are also short Cl⋯Cl contacts [3.3492 (9) Å] and C-H⋯π inter-actions.

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(E)-3-(1-Methyl-1H-pyrrol-2-yl)-1-phenyl-prop-2-en-1-one.

Project description:The crystal structure of the title compound, C(14)H(13)NO, exhibits an E configuration. The conjugated compound is slightly twisted with a dihedral angle of 29.3° between the benzene and pyrrole rings. Two inter-molecular C-H⋯O inter-actions lead to a dimer. In the crystal, intermolecular C-H⋯O interactions generate an inversion dimer.

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1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octa-hydro-naphthalen-2-yl)-3-phenyl-prop-2-en-1-one.

Project description:The title compound, C(21)H(26)O, was semisynthesized from isocostic acid, isolated from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The cyclo-hexene ring has a half-chair conformation, whereas the cyclo-hexane ring displays a chair conformation.

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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.

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(Z)-1-(2,4-Dimethyl-phen-yl)-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

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