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5-(1H-Imidazol-1-ylsulfon-yl)-N,N-dimethyl-naphthalen-1-amine.

ABSTRACT: In the title mol-ecule, C(15)H(15)N(3)O(2)S, the dihedral angle between the naphthalene ring system and the imidazole ring is 86.1 (2)°. In the crystal structure, weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds, as well as weak C-H⋯π inter-actions, connect mol-ecules, forming a two-dimensional network.

SUBMITTER: Teng L

PROVIDER: S-EPMC2967969 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(1H-Imidazol-1-yl)-4,6-dimethyl-pyrimidine.

Project description:The asymmetric unit of the title compound, C(9)H(10)N(4), consists of two mol-ecules in which the dihedral angles between the planes of the imidazole and pyrimidine rings are 4.8 (1) and 2.1 (1)°.

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(Salicylato)[tris-(1-methyl-1H-benz-imidazol-2-ylmeth-yl)amine]copper(II) perchlorate dimethyl-formamide disolvate.

Project description:In the title complex, [Cu(C(7)H(5)O(3))(C(27)H(27)N(7))]ClO(4)·2C(3)H(7)NO, the Cu(II) ion is five-coordinated by four N atoms from the tris-(1-methyl-1H-benzimidazol-2-ylmeth-yl)amine ligand and an O atom of the monodentate salicylate ligand. The N(4)O donor set defines a coordination geometry inter-mediate between square-pyramidal and trigonal-bipyramidal. The crystal structure is stabilized by O-H⋯O inter-actions. The atoms of the aromatic ring of the salicylate ligand are disordered over two sites of equal occupancy. In addition, one of the dimethyl-formamide solvent mol-ecules is partially disordered over two positions, of approximately equal occupancy.

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RNA sequencing of murine C2C12 cell treated with high-throughput screening hit compound 6,8-dimethyl-3-(4-phenyl-1H-imidazol-5-yl)quinolin-2(1H)-one.

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2-(4-Bromo-phen-yl)-N-[3-(1H-imidazol-1-yl)prop-yl]quinazolin-4-amine.

Project description:In the title compound, C(20)H(18)BrN(5), the bromo-phenyl-substituted quinazoline unit is essentially planar [maximum deviation = 0.098 (3) Å] and makes a dihedral angle of 56.04 (14)° with the imidazole ring. In the crystal, mol-ecules are associated by pairs of N-H⋯N hydrogen bonds to form inversion dimers. All the quinazoline planar systems are oriented almost perpendicular to the [110] direction, making π-π inter-actions possible between adjacent dimers [centroid-centroid distances = 3.7674 (16) and 3.7612 (17) Å]. There are also a number of C-H⋯π inter-actions present. The crystal is a nonmerohedral twin, with a minor twin fraction of 0.47.

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{[(1Z)-3-Chloro-1H-isoindol-1-yl-idene]meth-yl}dimethyl-amine.

Project description:The asymmetric unit of the title compound, C11H11ClN2, contains two almost-planar independent mol-ecules: the isoindole and dimethyl-amino-methyl-ene mean planes in the two mol-ecules form dihedral angles of 5.45?(8) and 1.34?(8)°. The crystal packing exhibits no short inter-molecular contacts, except for a relatively short Cl?Cl distance of 3.4907?(7)?Å.

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N-(4,6-Dimethyl-pyrimidin-2-yl)-1H-benzimidazol-2-amine.

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Project description:In the title compound, C7H8N6O2S, the dihedral angle between the imidazole and thia-diazole rings is 70.86?(15)°. In the crystal, mol-ecules are linked into [10-1] chains by N-H?N hydrogen bonds, which incorporate centrosymmetric R 2 (2)(8) and R 2 (2)(18) loops. The chains are linked by C-H?O and C-H?N inter-actions, generating a three-dimensional network. Very weak ?-? stacking [centroid-centroid distance = 3.901?(17)?Å] is also observed.

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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-[(1H-Imidazol-2-yl)disulfan-yl]-1H-imidazole.

Project description:In the title molecule, C(6)H(6)N(4)S(2), a twofold rotation axis passes through the mid-point of the S-S bond. The C-S-S-C torsion angle is 83.62?(17)°. ?-? stacking between imidazole rings of adjacent mol-ecules is observed in the crystal structure, the centroid-centroid distance being 3.447?(2)?Å. Inter-molecular N-H?S hydrogen bonding results in the formation of a linear chain in the c-axis direction.

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(1H-Imidazol-4-yl)methanol.

Project description:The title compound, C4H6N2O, displays two predominant hydrogen-bonding inter-actions in the crystal structure. The first is between the unprotonated imidazole N atom of one mol-ecule and the hy-droxy H atom of an adjacent mol-ecule. The second is between the hy-droxy O atom of one mol-ecule and the imidazole N-H group of a corresponding mol-ecule. These inter-actions lead to the formation of a two-dimnensional network parallel to (10-1). C-H⋯O inter-actions also occur.

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