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4-{2-[3-(2-Ammonioacetamido)propanamido]ethyl}-1H-imidazol-3-ium dichloride.

ABSTRACT: Mol-ecules of the title compound, Gly-β-Ala-Histamine dihydro-chloride, C(10)H(19)N(5)O(2) (2+)·2Cl(-), are linked by N-H⋯O and N-H⋯Cl hydrogen bonds into two-dimensional polymeric sheets parallel to the (011) plane, forming a stacked structure along the a axis. The parallel layers are also inter-linked alternately by different N-H⋯Cl hydrogen bonds, forming a three-dimensional framework.

SUBMITTER: Selmeczi K

PROVIDER: S-EPMC2959922 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(2-ethyl-1H-imidazol-3-ium) tetra-chloridocuprate(II).

Project description:In the crystal structure of the title salt, (C(5)H(9)N(2))(2)[CuCl(4)], the organic cations and the tetrahedral [CuCl(4)] anions are linked into a three-dimensional network by N-H?Cl hydrogen bonds. The two 2-ethyl imidazolium cations in the asymmetric unit differ in the orientation of the ethyl group, with N-C-C-C torsion angles of -170.0?(4) and -87.6?(5)°.

| S-EPMC3050348 | biostudies-literature

Bis[2-(4-amino-phen-yl)-4,5-dihydro-1H-imidazol-3-ium] dichloride monohydrate.

Project description:The asymmetric unit of the title compound, 2C(9)H(12)N(3) (+)·2Cl(-)·H(2)O, comprises two mol-ecules, two chloride anions and one mol-ecule of crystal water. In the imidazolinium ring, the protonation contributes to delocalization of the positive charge over the two C-N bonds. Both chloride anions are acceptors of four hydrogen bonds in a flattened tetra-hedron environment. The donors are NH(2) groups, the NH groups of the imidazolinium rings and the water mol-ecule. These hydrogen bonds and N-H⋯O(H(2)O) hydrogen bonds form a three-dimensional network.

| S-EPMC3239081 | biostudies-literature

1-Ethyl-3-methyl-1H-imidazol-3-ium spiro-penta-borate.

Project description:In the anion of the title compound, (C6H11N2)[B5O6(OH)4], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C-N-C-C torsion angle) by 71.4 (2)° out of the plane of the heterocycle. In the crystal, the anions are connected in a three-dimensional network through O-H⋯O hydrogen bonds, forming channels along the a-axis direction. The cations are situated in the channels, forming C-H⋯O hydrogen bonds with the anions.

| S-EPMC3998326 | biostudies-literature

1-Carboxy-methyl-2-ethyl-4-methyl-1H-imidazol-3-ium chloride monohydrate.

Project description:In the title compound, C(8)H(13)N(2)O(2) (+)·Cl(-)·H(2)O, the methyl C atom of the ethyl group is slightly out of the imidazole plane, with an N-C(ring)-C-C torsion angle of -15.1 (2)°. In the crystal structure, there are strong inter-molecular hydrogen-bonding inter-actions between the solvent water mol-ecule, the free chloride anion and the organic cation, resulting in a two-dimensional supra-molecular network in the ab plane.

| S-EPMC2977760 | biostudies-literature

2-Ethyl-1H-imidazol-3-ium hemioxalate oxalic acid monohydrate.

Project description:In the title compound, C(5)H(9)N(2) (+)·0.5C(2)O(4) (2-)·C(2)H(2)O(4)·H(2)O, the anions, cations and water mol-eculars are linked by N-H?O and O-H?O hydrogen bonds which define a tightly bound three-dimensional structure. The title compound is a layered structure as viewed along the a or c axis; one layer contains water and oxalic acid mol-ecules, the other the imidazolium cation. The C atoms of the ethyl group of the 2-ethyl-imidazolium cation are disordered over two positions of equal occupancy.

| S-EPMC3152088 | biostudies-other

Bis(2-ethyl-1H-imidazol-3-ium) tetra-chloridomercurate(II).

Project description:The crystal structure of the title compound, (C(5)H(9)N(2))(2)[HgCl(4)], consists of discrete tetra-chloridomercurate dications and discrete 2-methyl-imidazolium cations. In the complex anion, the mercury cations are coordinated by four chloride anions with distances between 2.4568?(14) and 2.4936?(15)?Å in a tetra-hedral geometry. In the crystal, the cations and anions are connected by inter-molecular N-H?Cl inter-actions. One C atom of the cations is disordered and was refined using a split model (occupancy ratio 0.75:0.25).

| S-EPMC3274882 | biostudies-other

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.

| S-EPMC4645084 | biostudies-other

2-Phenyl-1H-imidazol-3-ium hydrogen oxalate.

Project description:In the title mol-ecular salt, C(9)H(9)N(2) (+)·C(2)HO(4) (-), the dihedral angle between the aromatic rings of the cation is 17.5?(3)° and the dihedral angle between the -CO(2)H and -CO(2) groups of the anion is 38.6?(2)°. In the crystal, the components inter-act by way of O-H?O and N-H?O hydrogen bonds.

| S-EPMC3151754 | biostudies-literature

Bis(1H-imidazol-3-ium) naphthalene-1,5-disulfonate.

Project description:The asymmetric unit of the title organic salt, 2C(3)H(5)N(2) (+)·C(10)H(6)O(6)S(2) (2-), consists of an imidazolium cation and half a naphthalene-1,5-disulfonate dianion, completed to the full dianion through an inversion center. N-H⋯S and N-H⋯O hydrogen bonds link cations and anions in the crystal, forming a chain propagating along [101].

| S-EPMC3344631 | biostudies-literature

(S)-2-(2-Pyrrolidinio)-1H-benzimidazol-3-ium dichloride monohydrate.

Project description:In the title compound, C(11)H(15)N(3) (2+)·2Cl(-)·H(2)O, one N atom of the imidazole ring and the N atom of the pyrrolidine ring are protonated. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring benzimidazole systems [centroid-centroid duistance = 3.712?(2)?Å]. The crystal structure is further stabilized by inter-molecular N-H?Cl, O-H?Cl and N-H?O hydrogen bonds.

| S-EPMC2969638 | biostudies-literature

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