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Crystal structure of 2-(1H-imidazol-4-yl)ethanaminium chloride.

ABSTRACT: The title mol-ecular salt, C5H10N3 (+)·Cl(-), was obtained as by-product in the attempted synthesis of a histamine derivative. The terminal amino group of the starting material is protonated. The Cimidazole-C-C-N(H3)(+) group in the cation is in an anti conformation with a torsion angle of 176.22?(10)°. In the crystal, cations and anions are linked via N-H?N and N-H-Cl hydrogen bonds, forming a two-dimensional network parallel to (10-1). A single weak C-H?Cl hydrogen bond completes a three-dimensional network.

SUBMITTER: Belfilali I

PROVIDER: S-EPMC4420062 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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Crystal structure of 2-(1H-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination.

Project description:The crystal structure of the title mol-ecular salt, C5H11N3 (+)·2Cl(-), was redetermined. In comparison with the previous study [Bonnet et al. (1975 ?). Bull. Soc. Fr. Mineral. Crist. 98, 208-213.], the positions of some H atoms were corrected, allowing a more accurate description of the hydrogen-bonding scheme. In addition, the absolute structure was also determined. The maximum differences in terms of bond lengths and angles between the two determinations are 0.022?Å and 1.43°, respectively. The organic cation display a anti conformation of the protonated amine function and the imidazolium ring. The dihedral angle between the imidazolium plane and the plane through the C-C-N side chain is 29.58?(3)°. In the crystal, the organic cations and Cl(-) anions are stacked alternatively into layers parallel to (100). N-H?Cl hydrogen bonds between all H atoms of the ammonium group and both N-H groups of the imidazolium ring and the Cl(-) acceptor anions lead to the linkage of organic and inorganic layers into a three-dimensional network.

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Crystal structure of 1H-imidazol-3-ium 2-(1,3-dioxoisoindolin-2-yl)acetate.

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| S-EPMC4186205 | biostudies-literature

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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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1,3-Bis(2-anilino-2-oxoeth-yl)-1H-imidazol-3-ium chloride.

Project description:In the cation of the title salt, C(19)H(19)N(4)O(2) (+)·Cl(-), the dihedral angles between the imidazole ring and the phenyl rings are 70.39 (8) and 86.26 (9)°. The chloride anion inter-acts with the cation through an N-H⋯Cl hydrogen bond. In the crystal, classical N-H⋯O hydrogen bonds link the cations into chains parallel to the b axis. Non-classical C-H⋯Cl and C-H⋯O hydrogen bonds further connect the chains into a three-dimensional network.

| S-EPMC3394023 | biostudies-literature

1-(4-Carb-oxy-phen-yl)-1H-imidazol-3-ium chloride dihydrate.

Project description:In the crystal structure of the title compound, C(10)H(9)N(2)O(2) (+)·Cl(-)·2H(2)O, the components are linked by O-H⋯O, N-H⋯O, O-H⋯Cl and N-H⋯Cl hydrogen bonds. In the cation, the imidazole ring is oriented at a dihedral angle of 13.67 (17)° with respect to the benzene ring. In the crystal, π-π stacking occurs between nearly parallel benzene rings, which are oriented at a dihedral angle of 3.4 (1)°, the centroid-centroid distance being 3.798 (3) Å.

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

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| S-EPMC4384621 | biostudies-literature

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