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Prop-2-en-1-yl 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoate.

ABSTRACT: The title compound, C25H20N2O2, crystallized with two mol-ecules in the asymmetric unit, in one of which the atoms of the terminal propenyl group are disordered over two sets of sites, with a refined occupancy ratio of 0.870?(4):0.130?(4). The central imidazole ring makes dihedral angles of 25.51?(11), 40.73?(11) and 27.36?(11)° with the three pendant rings in one molecule and 22.56?(10), 60.72?(10) and 5.85?(10)° in the other. In the crystal, mol-ecules are linked by N-H?N and C-H?O hydrogen bonds, forming a three-dimensional network. The crystal structure also features C-H?? inter-actions and ?-? stacking [centroid-centroid distances = 3.8834?(18) and 3.9621?(17)?Å] inter-actions.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC3770380 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Prop-2-en-1-yl 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoate.

Mohamed Shaaban K SK Akkurt Mehmet M Marzouk Adel A AA Abdelhamid Antar A AA Santoyo-Gonzalez Francisco F

Acta crystallographica. Section E, Structure reports online 20130615 Pt 7

The title compound, C25H20N2O2, crystallized with two mol-ecules in the asymmetric unit, in one of which the atoms of the terminal propenyl group are disordered over two sets of sites, with a refined occupancy ratio of 0.870 (4):0.130 (4). The central imidazole ring makes dihedral angles of 25.51 (11), 40.73 (11) and 27.36 (11)° with the three pendant rings in one molecule and 22.56 (10), 60.72 (10) and 5.85 (10)° in the other. In the crystal, mol-ecules are linked by N-H⋯N and C-H⋯O hydrogen bo ...[more]

PMID: 24046665

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2-(4-Chloro-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.

Project description:The title compound, C24H19ClN2, crystallizes with two independent mol-ecules in the asymmetric unit. The prop-2-enyl substituents on the imidazole rings adopt similar conformations in the two mol-ecules. The 4-and 5-substituted phenyl rings and the benzene ring make dihedral angles of 67.06?(8), 5.61?(8) and 41.09?(8)°, respectively, with the imadazole ring in one mol-ecule and 71.53?(8), 28.85?(8) and 41.87?(8)°, respectively, in the other. The crystal structure features C-H?? inter-actions and weak ?-? stacking inter-actions [centroid-centroid distances = 3.6937?(10) and 4.0232?(10)?Å] between the chloro-phenyl rings, which form a three-dimensional supramolecular structure.

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2-[4-(4,5-Dihydro-1H-imidazol-2-yl)phen-yl]-4,5-dihydro-1H-imidazol-3-ium 4-amino-benzoate.

Project description:In the cation of the title compound, C(12)H(15)N(4) (+)·C(7)H(6)NO(2) (-), the benzene ring makes dihedral angles of 30.51?(9) and 25.64?(9)° with the imidazole and imidazolinium rings, respectively. In the crystal, inter-molecular N-H?O and N-H?N hydrogen-bonding inter-actions link the mol-ecules into a three-dimensional network.

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Project description:In the title compound, C(26)H(24)N(2)O(2), the planar 1H-imidazole ring makes dihedral angles of 35.78?(4), 26.35?(5) and 69.75?(5)°, respectively, with the dimeth-oxy-phenyl ring and the phenyl rings in the 4- and 5-positions. In the crystal, C-H?O hydrogen bonds connect neighbouring mol-ecules, forming infinite chains running along the b axis. Furthermore, the crystal structure exhibits a C-H-?? inter-action between a methyl H atom and a phenyl ring from an adjacent mol-ecule.

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Crystal structure of 4-[1-(2-hy-droxy-prop-yl)-4,5-diphenyl-1H-imidazol-2-yl]benzoic acid.

Project description:In the title compound, C25H22N2O3, the central imidazole ring makes dihedral angles of 48.43?(10), 20.23?(10) and 75.38?(11)° with the benzene ring and the two phenyl rings, respectively. The phenyl ring adjacent to the N-bonded 2-hy-droxy-propyl group shows the greatest twist, presumably to minimize steric inter-actions. In the crystal, mol-ecules are linked by O-H?N, O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network. In addition, C-H?? inter-actions are also observed.

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2-(2,5-Di-meth-oxy-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.

Project description:In the title compound, C26H24N2O2, the two phenyl and the 2,5-di-meth-oxy-phen-yl rings are inclined to the imidazole ring at dihedral angles of 30.38?(8), 56.59?(9) and 73.11?(9)°, respectively. In the crystal, mol-ecules are linked by pairs of C-H?O inter-actions into centrosymmetric dimers with graph-set notation R 2 (2)(8). C-H?? inter-actions are also observed.

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2-(3-Nitro-phen-yl)-4,5-diphenyl-1H-imidazol-3-ium chloride.

Project description:The title compound, C(21)H(16)N(3)O(2) (+)·Cl(-), contains two organic cations with similar conformation and two chloride ions in the asymmetric unit. The imidazole and benzene rings are twisted with respect to each other [dihedral angles of 24.05?(16), 24.31?(16) and 50.38?(13) in one cation and 27.70?(15), 25.07?(16) and 45.86?(14)° in the other]. The crystal packing is stabilized by N-H?Cl hydrogen bonds, forming an infinite one-dimensional chain parallel to the c axis.

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2-(4-Nitro-phen-yl)-4,5-diphenyl-1H-imidazol-3-ium chloride.

Project description:In the cation of the title compound, C(21)H(16)N(3)O(2) (+)·Cl(-), the N atom in the 3-position of the imidazole ring is protonated. The three pendant aromatic rings are twisted from the plane of the imidazolium ring by dihedral angles of 31.69?(14)°, 31.09?(14)° and 34.77?(14)°. In the crystal structure, N-H?Cl hydrogen bonds link the mol-ecules, forming a chain parallel to the b axis.

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2-[2-(4-Meth-oxy-phen-yl)-4,5-diphenyl-1H-imidazol-1-yl]ethanol.

Project description:In the title compound, C24H22N2O2, the central imidazole ring makes dihedral angles of 49.45?(8), 88.94?(9) and 19.43?(8)° with the benzene ring and the two phenyl rings, respectively. The dihedral angle between the phenyl rings is 77.86?(9)°, and they form dihedral angles of 49.06?(9) and 67.31?(8)° with the benzene ring. In the crystal, mol-ecules are linked by O-H?N hydrogen bonds, forming chains along the b axis. These chains are connected by C-H?O hydrogen bonds, forming a two-dimensional network parallel to (100). In addition, C-H?? inter-actions are also observed. The terminal C and O atoms of the ethanol group are disordered over two sets of sites with an occupancy ratio of 0.801?(5):0.199?(5).

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4-(1-Allyl-4,5-diphenyl-1H-imidazol-2-yl)-N,N-dimethyl-aniline.

Project description:The title compound, C26H25N3, crystallizes with four independent mol-ecules, 1-4, in the asymmetric unit of the triclinic unit cell. The allyl substituents on the imidazole rings adopt similar conformations in all four mol-ecules. The imadazole and the 4-and 5-substituted phenyl rings of two pairs of molecules in the asymmetric unit stack parallel to (110). In contrast, the dimethyl-aniline systems in these pairs of mol-ecules are almost normal to one another, with dihedral angles of 85.84?(10) and 85.65?(10)° between the benzene rings of the two dimethyl-aniline fragments of mol-ecules 1 and 2, and 3 and 4, respectively. The crystal structure features an extensive series of C-H?? inter-actions that link the mol-ecules into undulating rows along the c axis. The crystal studied was a pseudo-merohedral twin with twin law [-100, 0-10, 111] and the BASF parameter refined to 0.513?(3).

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2-(4-Meth-oxy-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.

Project description:The asymmetric unit of the title compound, C(25)H(22)N(2)O, contains two independent mol-ecules (A and B), with significantly different conformations. In mol-ecule A, the central imidazole ring makes dihedral angles of 88.26?(10) and 12.74?(11)° with the two phenyl rings, and 22.06?(9)° with the benzene ring. In mol-ecule B, one of the phenyl rings is disordered over two sites, each having an occupancy of 0.5. Here the central imidazole ring forms dihedral angles of 79.24?(10)° with the ordered phenyl ring, and 3.5?(5) and 22.6?(5)° with the two parts of the disordered phenyl ring. The dihedral angle involving the benzene ring is 67.49?(10)°. The -N-C(H(2))-C(H)-C(H(2)) torsion angles of the prop-1-ene group in the two mol-ecules are very similar, 0.5?(3) and 1.3?(4)° for mol-ecules A and B, respectively. The crystal structure is stabilized by C-H?? inter-actions.

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