Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,2,3,4-Tetra-hydro-1,4-methano-naphthalene-2,3-diol.

ABSTRACT: The title compound, C(11)H(12)O(2), is an inter-mediate in the synthesis of Varenicline, a nicotinic receptor partial agonist used to treat smoking addiction. In the crystal structure, there is an intra-molecular O-H⋯O hydrogen bond that generates an S(5) ring motif. Inter-molecular O-H⋯O hydrogen bonds form centrosymmetric dimers and also link these dimers into chains along the a axis.

SUBMITTER: Xu J

PROVIDER: S-EPMC2967988 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

rac-1,2,3,4-Tetra-hydro-1,4-methano-anthracene-6,7-dicarbonitrile.

Project description:The title compound, C(17)H(12)N(2), comprises a norbornane unit having a dicyanona-phthalene ring fused on one side. Both cyano groups are twisted slightly out of the plane of the naphthalene ring system [C-C-C-C torsion angle = 1.9 (2)°]. In the crystal, inversion-related mol-ecules are linked by pairs of weak C-H⋯N hydrogen bonds, forming dimers.

| S-EPMC3238964 | biostudies-literature

(6RS,9SR)-6,7-Dibromo-1,2,3,4-tetra-hydro-1,4-methano-anthracene.

Project description:The title compound, C(15)H(12)Br(2), comprises a norbornane unit having a dibromo-naphthalene ring fused on one side. Both Br atoms are twisted slightly out of the plane of the naphthalene ring system with a Br-C-C-Br torsion angle of 5.3?(5)°. In the crystal, mol-ecules are linked by weak inter-molecular C-H?Br hydrogen bonds, forming an infinite C(9) chain along [110].

| S-EPMC3089252 | biostudies-literature

1,4-Dibromo-naphthalene-2,3-diol.

Project description:In the title compound (r.m.s. deviation for the non-H atoms = 0.020?Å), C(10)H(6)Br(2)O(2), an intra-molecular O-H?O hydrogen bond generates an S(6) ring. In the crystal, the same H atom also forms an inter-molecular O-H?O hydrogen bond, generating a C(2) chain propagating in [100]. The other O-H hydrogen forms a weak O-H?? inter-action, and short Br?Br contacts [3.5972?(9)?Å] also occur.

| S-EPMC3213464 | biostudies-literature

1,4-Dichloro-naphthalene-2,3-diol.

Project description:The achiral planar (maximum deviation 0.014?Å) title compound, C(10)H(6)Cl(2)O(2), crystallizes in the chiral space group P2(1)2(1)2(1) in an arrangement incorporating conventional O-H?O hydrogen bonding leading to a supra-molecular chain.

| S-EPMC2968610 | biostudies-literature

(1R,4S)-7,8-Dichloro-1,2,3,4-tetra-hydro-1,11,11-trimethyl-1,4-methano-phenazine.

Project description:The title compound, C(16)H(16)Cl(2)N(2), was synthesized by the condensation reaction between 4,5-dichloro-o-phenyl-ene-diamine and (1R)-(-)-camphorquinone in boiling acetic acid. The two crystallographically independent mol-ecules in the unit cell are related by a pseudo-inversion center.

| S-EPMC3009136 | biostudies-literature

7-Nitro-1,2,3,4-tetra-hydro-naphthalene-1-spiro-2'-(1,3-dithiane).

Project description:In the title compound, C(13)H(15)NO(2)S(2), the nitro group is coplanar with the benzene ring to which it is attached, forming a dihedral angle of 1.07?(14)°. The dithiane ring adopts a chair conformation. In the crystal structure, mol-ecules are linked through C-H?O and C-H?? [C?Cg = 3.7164?(15)?Å] inter-actions. The crystal studied was an inversion twin with an 0.134?(5):0.866?(5) domain ratio.

| S-EPMC2968322 | biostudies-literature

1,2,3,4-Tetra-methyl-cyclo-pent-2-ene-1,4-diol.

Project description:The title compound, C(9)H(16)O(2), crystallizes with two mol-ecules in the asymmetric unit. The structure displays inter-molecular O-H?O hydrogen bonding.

| S-EPMC2959352 | biostudies-other

Naphthalene-2,3-diol-imidazole (1/1).

Project description:In the title cocrystal, C(10)H(8)O(2)·C(3)H(4)N(2), inter-molecular O-H?O and N-H?O hydrogen bonds connect the naphthalene-2,3-diol and imidazole mol-ecules into a two-dimensional supra-molecular framework.

| S-EPMC2960591 | biostudies-literature

2,3-Dichloro-benzene-1,4-diol.

Project description:The achiral title compound, C(6)H(4)Cl(2)O(2), crystallizes with O-H?O hydrogen bonding linking mol-ecules into layers. Between layers there are chains of Cl?Cl?Cl inter-actions with alternating distances of 3.274?(2) and 3.742?(2)?Å. Augmenting this arrangement there are also C-H?Cl (2.97 and 3.17?Å) and Cl?? (shortest distances 3.40 and 3.54?Å) inter-actions.

| S-EPMC2977781 | biostudies-literature

2,2,3,3-Tetra-fluoro-butane-1,4-diol.

Project description:In the title compound, C(4)H(6)F(4)O(2), a partially fluorinated aliphatic diol, cooperative O-H⋯O hydrogen bonds form R(2) (2)(14) rings, which are connected into infinite layers parallel to the (100) plane by C(7) chains. A C-H⋯F link is also seen.

| S-EPMC2967951 | 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