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1,3-Bis[(1H-benzotriazol-1-yl)meth-yl]-2,3-dihydro-1H-benzimidazole.

ABSTRACT: In the title compound, C(21)H(18)N(8), the two (benzotriazol-1-yl)methyl groups are located in an anti position with respect to the benzimidazoline moiety. The dihedral angles between the benzotriazole ring systems and the central benzimidazoline moiety are 57.03 (4) and 81.01 (3)°. The crystal packing is stabilized by two C-H⋯π inter-actions.

SUBMITTER: Rivera A

PROVIDER: S-EPMC3099965 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 1,3-bis-(1H-benzotriazol-1-yl-meth-yl)benzene.

Project description:The mol-ecular structure of the title compound, C20H16N6, contains two benzotriazole units bonded to a benzene nucleus in a meta configuration, forming dihedral angles of 88.74 (11) and 85.83 (10)° with the central aromatic ring and 57.08 (9)° with each other. The three-dimensional structure is controlled mainly by weak C-H⋯N and C-H⋯π inter-actions. The mol-ecules are connected in inversion-related pairs, forming the slabs of infinite chains that run along the [-110] and [110] directions.

| S-EPMC4908573 | biostudies-literature

2,2'-Bis(methyl-ene)-3,3'-(2-thioxo-2,3-dihydro-1H-benzimidazole-1,3-di-yl)dipropane-nitrile.

Project description:In the title compound, C(15)H(12)N(4)S, the benzimidazole ring is essentially planar, with a mean deviation of 0.0082?(1)?Å from the least-squares plane defined by the nine constituent atoms. In the crystal, inversion dimers linked by pairs of C-H?N hydrogen bonds occur.

| S-EPMC2971137 | biostudies-literature

1,3-Bis(ethoxy-meth-yl)-1H-benzimidazole-2(3H)-thione.

Project description:In the structure of the title compound, C(13)H(18)N(2)O(2)S, mol-ecules are linked together by inter-molecular C-H?S inter-actions into one-dimensional extended chains along the a axis. The crystal packing is further influenced by weak C-H?O inter-actions.

| S-EPMC2979012 | biostudies-literature

2,2-Bis(hy-droxy-meth-yl)-2,3-dihydro-1H-pyrrolizin-1-one.

Project description:The title compound, C(9)H(11)NO(3), was prepared by an Aldol reaction of 2,3-dihydro-1H-pyrrolizin-1-one with formaldehyde. The asymmetric unit contains six mol-ecules. The pyrrolizine ring system in each mol-ecule is planar, the maximum atomic deviation being 0.066 (2) Å. In the crystal structure, mol-ecules are liked together by an extensive O-H⋯O hydrogen-bonding network.

| S-EPMC3006763 | biostudies-literature

(4S,5S)-2,2-Dimethyl-4,5-bis-(3-methyl-2-thioxo-2,3-dihydro-1H-imidazol-1-yl-meth-yl)-1,3-dioxolane.

Project description:In the chiral title compound, C(15)H(22)N(4)O(2)S(2), there are two mol-ecules in the asymmetric unit with distinctly different conformations, as quanti-fied by torsion angles. The dihedral angles between the thio-imidazole rings are 81.59?(5) and 67.04?(4)°. One mol-ecule exhibits local twofold rotation symmetry, while the other displays no local symmetry. Inter-molecular C-H?O and C-H?S inter-actions are observed.

| S-EPMC2915016 | biostudies-literature

1,1'-[(2-Phenyl-2,3-dihydro-1H-benz-imidazole-1,3-di-yl)bis-(methyl-ene)]bis-(1H-benzotriazole).

Project description:The imidazole ring in the title compound, C(27)H(22)N(8), adopts a slight envelope conformation with the C atom carrying the phenyl ring being the flap atom. The phenyl ring is almost perpendicular to the mean plane of the imidazole ring [dihedral angle = 88.90 (7)°]. The (1H-benzotriazol-1-yl)methyl groups bound to the imidazole ring are positioned on the same side of the imidazole ring. The dihedral angle between these benzotriazolyl rings is 17.71 (5)°. The crystal packing is stabilized by a C-H⋯π inter-action, which connects the mol-ecules into zigzag chains running along the b axis.

| S-EPMC3274994 | biostudies-literature

1,3-Bis[2-hy-droxy-2-(6-meth-oxy-2,2-dimethyl-3a,5,6,6a-tetra-hydro-2H-furo[2,3-d][1,3]dioxol-5-yl)eth-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one.

Project description:In the title benzimidazolone, C(27)H(38)N(2)O(11), which has N-bound glycosidic units, all five-membered O-heterocyclic rings adopt envelope conformations [for the outer rings, the C atom with the dimethyl groups represents the flap atom]. The two glycosidic units are related by a non-crystallographic twofold rotation axis that passes through the carbonyl portion. In the mol-ecular structure, the hy-droxy groups are hydrogen-bond donors to the carbonyl O atom. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3275034 | biostudies-literature

2,3-Bis(phenoxy-meth-yl)buta-1,3-diene.

Project description:The mol-ecule of the title compound, C(18)H(18)O(2), a symmetrically phenol-substituted divinyl analog, exhibits crystallographically imposed C(2) symmetry. The phenolic and divinyl planar groups inter-sect each other orthogonally, with a dihedral angle of 82.7 (1)°. The structure is stabilized by a short intra-molecular C-H⋯O contact. The mol-ecules are held together by C-H⋯π inter-actions, forming a sheet structure parallel to the (201) plane.

| S-EPMC2915194 | biostudies-literature

Bis{1-[(1H-benzotriazol-1-yl)meth-yl]-2-methyl-1H-imdazole-?N(3)}dichlorido-zinc.

Project description:In the mononuclear title compound, [ZnCl(2)(C(11)H(11)N(5))(2)], the Zn(II) atom is coordinated by two Cl atoms and two imidazole N atoms in a distorted tetra-hedral geometry. Adjacent complex mol-ecules are stacked through aromatic ?-? inter-actions; the closest distance between adjacent aromatic rings is 3.598?(2)?Å.

| S-EPMC3379141 | biostudies-literature

1,1'-[(2,3,3a,4,5,6,7,7a-Octa-hydro-1H-1,3-benzimidazole-1,3-di-yl)bis-(methyl-ene)]bis-(1H-benzotriazole).

Project description:The cyclo-hexane ring in the title compound, C(21)H(24)N(8), adopts a chair conformation and the five-membered heterocyclic ring to which it is fused adopts a twist conformation on their common C-C bond. The substituents on the N atoms of the central five-membered heterocycle are arranged trans with respect to the central ring. The terminal benzotriazole rings are oriented at angles of 74.66 (8) and 84.18 (8)° with respect to the mean plane of the central heterocycle. The angle between the two benzotriazole rings is 30.80 (9)°. The bond lengths and angles are within normal ranges; the largest deviation from expecta-tion is for a long N-CH(2) bond length [1.476 (2) Å] as a consequence of an anomeric effect. In the crystal, mol-ecules are connected by C-H⋯N hydrogen bonds.

| S-EPMC3247461 | biostudies-literature

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