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2,6-Dibromo-4-(2-hy-droxy-eth-yl)phenol.

ABSTRACT: The title compound, C(8)H(8)Br(2)O(2), crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They differ in the conformation of the 2-hy-droxy-ethyl chain with the C-C-C-O torsion angle being -68.0 (12)° in mol-ecule A and 172.2 (9)° in mol-ecule B. In the crystal, the A mol-ecules are linked via pairs of O-H⋯O hydrogen bonds, forming inversion dimers, while the B mol-ecules are linked via an O-H⋯O hydrogen bond, forming a polymeric chain propagating in [010]. In addition, there are O-H⋯O and O-H⋯Br hydrogen bonds, and Br⋯Br [3.599 (2) Å] and π-π inter-actions [centroid-centroid distances = 3.581 (6) and 3.931 (6) Å], leading to the formation of a two-dimensional network parallel to (001).

SUBMITTER: Lu DQ

PROVIDER: S-EPMC3238923 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(2-Hy-droxy-eth-oxy)phenol.

Project description:The asymmetric unit of the title compound, C8H10O3, contains four mol-ecules, which differ in the orientation of the hy--droxy-ethyl group [O-C-C-O torsion angles = -168.89 (17), 72.9 (2), -65.8 (2) and 71.8 (2)°], as well as the orientation of the hy-droxy H atoms. Furthermore, the crystal structure displays two different types of strong hydrogen bond. The first is between an alcohol O-H and another alcohol O atom, and the second between an alcohol O-H group and an ether O atom. Additional weak hydrogen bonds between C-H groups and ether O atoms stabilize the structure.

| S-EPMC3793793 | biostudies-literature

4-[(E)-({4-[Bis-(2-hy-droxy-eth-yl)amino]-phen-yl}imino)-meth-yl]phenol.

Project description:In the title compound, C(17)H(20)N(2)O(3), the amino N atom is in a planar environment (sum of angles = 360.0°). All hy-droxy H atoms are involved in hydrogen bonding. In the crystal structure, two O-H?O and an O-H?N(imino) hydrogen bond result in the formation of a three-dimensional network. The latter hydrogen bonding causes distortion of the planarity of the 4-HO-C(6)H(4)-CH=N-C(6)H(4)- fragment by rotation around the =N-C(Ph) bond. The crystal studied was a non-merohedral twin [refined BASF parameter for the major component = 0.5293?(7)].

| S-EPMC3006715 | biostudies-literature

2,6-Di-tert-butyl-4-(3-chloro-2-hy-droxy-prop-yl)phenol.

Project description:In the title 2-propanol derivative, C(17)H(27)ClO(2), the two tert-butyl groups both have one methyl C atom lying in the plane of the aromatic ring. In the crystal, the phenol group forms a hydrogen bond to the hy-droxy O atom belonging to the alkyl substituent of an adjacent mol-ecule, forming a chain along the ac diagonal. The Cl atom is disordered over two positions in a 0.73?(4):0.27?(4) ratio.

| S-EPMC3099772 | biostudies-literature

2-Hy-droxy-N-(2-hy-droxy-eth-yl)benzamide.

Project description:In the title compound, C(9)H(11)NO(3), a derivative of salicyl-amide, the intra-cyclic C-C-C angles span the range 117.96?(13)-121.56?(14)°. An intra-molecular O-H?O hydro-gen bond occurs. In the crystal, inter-molecular O-H?O and N-H?O hydrogen bonds occur and C-H?O contacts connect the mol-ecules into a three-dimensional network. The closest inter-centroid distance between two ?-systems is 3.8809?(10)?Å.

| S-EPMC3213558 | biostudies-literature

4,6-Dibromo-2-[(E)-(4-{[(E)-3,5-dibromo-2-hy-droxy-benzyl-idene]amino}-butyl)-imino-meth-yl]phenol.

Project description:The asymmetric unit of the title compound, C(18)H(16)Br(4)N(2)O(2), comprises half the molecule, which is located adjacent to an inversion centre at the mid-point of the central C-C bond of the butane-1,4-diamine segment. There are two intra-molecular O-H⋯N hydrogen bonds making S(6) ring motifs. In the crystal, mol-ecules are linked by pairs of weak C-H⋯Br inter-actions into chains along [101], which include R(2) (2)(8) ring motifs. These chains are further linked by C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3394053 | biostudies-literature

2-Eth-oxy-6-({2-[(3-eth-oxy-2-hy-droxy-benzyl-idene)amino]-benz-yl}imino-meth-yl)phenol.

Project description:The title compound, C(25)H(26)N(2)O(4), exists in an E conformation with respect to each azomethine link. The two phenol-substituted benzene rings are twisted away from the plane of the diimine benzene ring by dihedral angles of 27.25 (5) and 56.67 (5)°. The mol-ecular structure is stabilized by intra-molecular O-H⋯N hydrogen bonds.

| S-EPMC3414937 | biostudies-literature

4-[3-(Benzyl-amino)-2-hy-droxy-prop-yl]-2,6-di-tert-butyl-phenol.

Project description:In the title compound, C(24)H(35)NO(2), the planes of the two aromatic rings form a dihedral angle of 72.76?(4)°. In the crystal, mol-ecules are linked by O-H?O and O-H?N hydrogen-bond inter-actions, forming an extended two-dimensional framework parallel to the ab plane.

| S-EPMC3213475 | biostudies-literature

Crystal structure of <i>rac</i>-4-[2-(<i>tert</i>-butyl-aza-nium-yl)-1-hy-droxy-eth-yl]-2-(hy-droxy-meth-yl)phenol benzoate.

Project description:The title salt, C13H22NO3+·C7H5O2-, comprises one salbutamol cation {sys-tematic name: 4-[2-(tert-butyl-aza-nium-yl)-1-hy-droxy-eth-yl]-2-(hy-droxy-meth-yl)phenol} and a benzoate anion. The cation shows disorder of the hy-droxy group [occupancy ratio 0.738?(3):0.262?(3)] at the stereogenic C atom. The non-planar benzoate anion [the dihedral angle between the benzene ring and the carboxyl group is 11.30?(8)°] is linked to the salbutamol cation by a medium-strength O-H?O hydrogen bond. Other inter-molecular O-H?O and N-H?O hydrogen bonds of weaker nature give rise to [001] chains.

| S-EPMC5588574 | biostudies-literature

2-Eth-oxy-6-{[1-(3-eth-oxy-2-hy-droxy-benz-yl)-1H-benzimidazol-2-yl]meth-yl}phenol nitro-methane monosolvate.

Project description:In the title solvate, C(24)H(24)N(2)O(4)·CH(3)NO(2), the benzene ring of the 2-eth-oxy-6-methyl-phenol substituent is approximately perpendicular to the nearly planar benzimidazole ring [maximum deviation = 0.021?(2)?Å], making a dihedral angle of 84.32?(7)°. The benzene ring of the 2-eth-oxy-phenol group is somewhat inclined to the benzimidazole ring plane by 28.03?(5)°. The dihedral angle between the benzene rings is 82.20?(9)°. The compound reveals strong intra-molecular O-H?N and O-H?O hydrogen bonds, forming six- and five-membered rings, respectively. In the crystal, mol-ecules are connected by bifurcated O-H?(O,O) hydrogen bonds, forming chains along the b axis.

| S-EPMC3379470 | biostudies-literature

2,4-Dichloro-6-({2-[(3,5-dichloro-2-hy-droxy-benzyl-idene)amino]-eth-yl}imino-meth-yl)phenol.

Project description:The title mol-ecule, C(16)H(12)Cl(4)N(2)O(2), lies about an inversion center. The symmetry-unique part of the mol-ecule contains an intra-molecular O-H?N hydrogen bond. In the crystal, mol-ecules are arranged in corrugated layers parallel to (-101). Weak ?-? stacking inter-actions, with a centroid-centroid diatance of 3.7923?(13)?Å, are present.

| S-EPMC3379294 | biostudies-literature

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