Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-{2-Benz-yloxy-2-[4-(morpholin-4-yl)phen-yl]eth-yl}-1H-benzimidazole.

ABSTRACT: In the title compound, C26H27N3O2, the morpholine ring adopts a chair conformation. The benzene and phenyl rings are inclined to the benzimidazole mean plane by 7.28?(6) and 61.45?(4)°, respectively. In the crystal, pairs of weak C-H?O hydrogen bonds link the mol-ecules into inversion dimers. These dimers are further connected via weak C-H?N hydrogen bonds. A weak C-H?? inter-action is also observed.

SUBMITTER: Ozel Guven O

PROVIDER: S-EPMC3588385 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-{2-Benz-yloxy-2-[4-(morpholin-4-yl)phen-yl]eth-yl}-1H-benzimidazole.

Ozel Güven Ozden O Capanlar Seval S Adler Philip D F PD Coles Simon J SJ Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20121222 Pt 1

In the title compound, C26H27N3O2, the morpholine ring adopts a chair conformation. The benzene and phenyl rings are inclined to the benzimidazole mean plane by 7.28 (6) and 61.45 (4)°, respectively. In the crystal, pairs of weak C-H⋯O hydrogen bonds link the mol-ecules into inversion dimers. These dimers are further connected via weak C-H⋯N hydrogen bonds. A weak C-H⋯π inter-action is also observed. ...[more]

PMID: 23476401

Similar Datasets

1-[2-(2,6-Dichloro-benz-yloxy)-2-(2-fur-yl)eth-yl]-1H-benzimidazole.

Project description:In the mol-ecule of the title compound, C(20)H(16)Cl(2)N(2)O(2), the planar benzimidazole ring system is oriented with respect to the furan and dichloro-benzene rings at dihedral angles of 53.39?(6) and 31.04?(5)°, respectively. In the crystal structure, inter-molecular C-H?Cl hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(8) dimers. These dimers are connected via a C-H?? contact between the benzimidazole and the furan rings, and ?-? contacts between the benz-imidazole and dichloro-benzene ring systems [centroid-centroid distances = 3.505?(1), 3.567?(1), 3.505?(1) and 3.567?(1)?Å].

| S-EPMC2962068 | biostudies-literature

Ethyl 1-[2-(morpholin-4-yl)eth-yl]-2-[4-(morpholin-4-yl)phen-yl]-1H-1,3-benzimidazole-5-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C(26)H(32)N(4)O(4), consists of two independent mol-ecules. In both mol-ecules, the eth-oxy groups are each disordered over two sets of sites with occupancies of 0.695?(4):0.305?(4) and 0.877?(2):0.123?(2). The dihedral angles between the benzimidazole ring system and the adjacent benzene ring in the two mol-ecules are 41.41?(5) and 31.46?(5)°. In the crystal, mol-ecules are linked by C-H?O and C-H?N inter-actions.

| S-EPMC3152030 | biostudies-literature

1-{2-(4-Chloro-benz-yloxy)-2-[4-(mor-pho-lin-4-yl)phen-yl]eth-yl}-1H-benzimidazole propan-2-ol monosolvate.

Project description:In the title compound, C26H26ClN3O2·C3H7OH, the benzimid-azole ring system is essentially planar [maximum deviation = -0.018?(2)?Å] and its mean plane is oriented with respect to the two benzene rings at dihedral angles of 4.51?(6) and 56.16?(6)°, and the dihedral angle between the two benzene rings is 59.11?(7)°. The morpholine ring displays a chair conformation. The propan-2-ol solvent mol-ecule links with the benzimidazole ring via an O-H?N hydrogen bond. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into inversion dimers with an R 2 (2)(28) motif. ?-? stacking occurs between the parallel chloro-benzene rings [centroid-centroid distance = 3.792?(1)?Å]. Weak C-H?? inter-actions and short Cl?Cl [3.2037?(10)?Å] contacts are also observed.

| S-EPMC3884486 | biostudies-literature

1-[2-(2,4-Dichloro-benz-yloxy)-2-(furan-2-yl)eth-yl]-1H-benzotriazole.

Project description:In the title compound, C(19)H(15)Cl(2)N(3)O(2), the benzotriazole ring system is approximately planar [maximum deviation = 0.018?(2)?Å] and its mean plane is oriented at dihedral angles of 30.70?(5) and 87.38?(4)°, respectively, to the furan and benzene rings while the dihedral angle between furan and benzene rings is 74.46?(6)°. In the crystal, weak C-H?N hydrogen bonds link the mol-ecules into chains along the b axis. ?-? stacking inter-actions between the parallel dichloro-benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.6847?(9)?Å] and weak C-H?? inter-actions are also observed.

| S-EPMC3254483 | biostudies-literature

1-(4-Methyl-benz-yl)-2-(4-methyl-phen-yl)-1H-benzimidazole.

Project description:The title compound, C(22)H(20)N(2), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The benzimidazole units are almost planar [maximum deviations = 0.0161?(8)?Å for A and 0.0276?(8)?Å for B]. The dihedral angles between the benzimidazole unit and the benzene rings of the 4-methyl-benzyl and 4-methyl-phenyl groups are 76.64?(3) and 46.87?(4)°, respectively, in mol-ecule A. The corresponding values in mol-ecule B are 86.31?(2) and 39.14?(4)°. The dihedral angles between the planes of the two benzene rings are 73.73?(3) and 80.69?(4)° in mol-ecules A and B, respectively. Pairs of weak inter-molecular C-H?N hydrogen bonds link B mol-ecules, forming centrosymmetric dimers with R(2) (2)(8) ring motifs. There are no significant corresponding inter-actions involving the A mol-ecules.

| S-EPMC3239139 | biostudies-literature

1-(4-Bromo-benz-yl)-2-(4-bromo-phen-yl)-1H-benzimidazole.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C20H14Br2N2. In the first, the dihedral angles between the mean plane of the benzimidazole group and those of the 4-bromo-benzyl and 4-chloro-phenyl groups are 50.72?(17) and 71.29?(16)°, respectively, while the corresponding angles in the second mol-ecule are 42.09?(16) and 89.05?(17)°. The 4-bromo-benzyl and 4-bromo-phenyl groups make an angle of 68.1?(2) and 85.1?(21)° with each other in the two mol-ecules. In the crystal, weak C-H?N and C-H?Br hydrogen bonds link the mol-ecules along the c-axis direction. Br?Br inter-actions [3.5733?(9)Å] are also observed.

| S-EPMC4011315 | biostudies-literature

1-[2-(2,6-Dichloro-benz-yloxy)-2-(2-fur-yl)eth-yl]-1H-1,2,4-triazole.

Project description:In the mol-ecule of the title compound, C(15)H(13)Cl(2)N(3)O(2), the triazole ring is oriented at dihedral angles of 2.54?(13) and 44.43?(12)°, respectively with respect to the furan and dichloro-benzene rings. The dihedral angle between the dichloro-benzene and furan rings is 46.75?(12)°. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers and ?-? contacts between dichloro-benzene rings [centroid-centroid distance = 3.583?(2)?Å] may further stabilize the structure. Inter-molecular C-H?? contacts between the triazole and furan rings also occur.

| S-EPMC2980028 | biostudies-literature

1-[2-(2,4-Dichloro-benz-yloxy)-2-(2-fur-yl)eth-yl]-1H-1,2,4-triazole.

Project description:In the mol-ecule of the title compound, C(15)H(13)Cl(2)N(3)O(2), the triazole ring is oriented at dihedral angles of 14.8?(2) and 81.5?(1)° to the furan and dichloro-benzene rings, respectively. The dihedral angle between the dichloro-benzene and furan rings is 86.3?(2)°. An intra-molecular C-H?O hydrogen bond results in the formation of a planar [maximum deviation 0.012?(2)?Å] five-membered ring, which is oriented at a dihedral angle of 0.90?(7)° with respect to the dichloro-benzene ring. There is an inter-molecular C-H?? contact between the methyl-ene group and the dichloro-benzene ring.

| S-EPMC2971368 | biostudies-literature

1-(4-tert-Butyl-benz-yl)-2-(4-tert-butyl-phen-yl)-1H-benzimidazole.

Project description:In the mol-ecule of the title compound, C(28)H(32)N(2), the benzimidazole ring system is almost planar [maximum deviation = 0.0221 (15) Å] and forms dihedral angles of 85.86 (4) and 32.09 (6)° with the benzene rings. In the crystal structure, mol-ecules are linked into chains running parallel to the a axis by inter-molecular C-H⋯N hydrogen bonds. The methyl groups of a tert-butyl group are rotationally disordered over two positions with refined site-occupancy factors of 0.636 (4) and 0.364 (4).

| S-EPMC2971974 | biostudies-literature

2-(2-{2-[2-(Dibromo-meth-yl)phen-oxy]eth-oxy}benz-yloxy)benzaldehyde.

Project description:The mol-ecule of the title compound, C(23)H(20)Br(2)O(4), adopts a Z conformation as a result of inter-molecular C-H?Br bonding. One benzene ring, with the structure R-CHBr(2), makes a dihedral angle of 63.0?(2)° with the other benzene ring attached to the aldehyde group. Inter-molecular ?-? stacking inter-actions [centroid-centroid distance = 3.698?(4)?Å] and a weak C-H?Br contact is present in the crystal structure.

| S-EPMC3052107 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data