Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(7-Meth-oxy-1-naphth-yl)acetonitrile.

ABSTRACT: The mol-ecule of the title compound, C(13)H(11)NO, is almost planar (r.m.s. deviation = 0.013 Å), apart from the cyanide group, for which the C and N atoms deviate from the mean plane of the other atoms by 0.341 (3) and 0.571 (4) Å, respectively. In the crystal, weak aromatic π-π stacking [centroid-centroid distance = 3.758 (3) Å] may help to stabilize the structure.

SUBMITTER: Wei WB

PROVIDER: S-EPMC3006982 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(5-Meth-oxy-1H-indol-3-yl)acetonitrile.

Project description:In the title compound, C(11)H(10)N(2)O, the O atom and the C atom of the methyl-ene group deviate only slightly [0.029?(3) and 0.055?(3)?Å, respectively] from the approximately planar ring system (r.m.s. deviation = 0.013?Å). In the crystal, N-H?O hydrogen bonds link the mol-ecules into zigzag chains running along the b axis.

| S-EPMC3254422 | biostudies-literature

[2-(2-Meth-oxy-1-naphtho-yl)phen-yl](1-naphth-yl)methanone.

Project description:The title compound, C(29)H(20)O(3), adopts an 'S' conformation with a dihedral angle of 68.5?(2)° beween the two acetone planes. The central phenyl ring forms dihedral angles of 83.8?(4) and 84.5?(4)° with the naphthalene and meth-oxy-substituted naphthalene mean planes, respectively. Both carbonyl-group O atoms deviate significantly from the naphthalene moiety and the meth-oxy-substituted naphthalene moiety [0.574?(1) and -1.053?(1)?Å, respectively]. The crystal packing is stabilized by C-H?O inter-molecular inter-actions, generating C(7) chain and R(2) (2)(10) graph-set motifs.

| S-EPMC3247430 | biostudies-literature

2-(4-Meth-oxy-1H-indol-3-yl)acetonitrile.

Project description:In the title compound, C(11)H(10)N(2)O, the cyanide group is twisted away from the indole-ring plane [C(cy)-C(me)-C(ar)-C(ar) = 70.7 (2)°; cy = cyanide, me = methyl-ene, ar = aromatic], whereas the meth-oxy C atom is almost coplanar with the ring system [displacement = 0.014 (5) Å]. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into C(7) chains propagating in [100].

| S-EPMC3254486 | biostudies-literature

N-[(2-Hydr-oxy-1-naphth-yl)(2-hydroxy-phen-yl)meth-yl]acetamide.

Project description:In the asymmetric unit of the title compound, C(19)H(17)NO(3), there are two crystallographically independent mol-ecules, which are connected to each other by O-H?O hydrogen bonds, forming mol-ecular chains as well as cyclic centrosymmetric R(2) (2)(16) dimers.

| S-EPMC2968777 | biostudies-literature

(4-Chloro-phen-yl)(3,8-dibromo-2-hydr-oxy-7-meth-oxy-1-naphth-yl)methanone.

Project description:In the title compound, C(18)H(11)Br(2)ClO(3), an intra-molecular O-H?O=C hydrogen bond occurs, forming a six-membered ring. The naphthalene ring system and the benzene ring make a dihedral angle of 57.36?(9)°. The central carbonyl C-(C=O)-C group is twisted away from the naphthalene ring system and the benzene ring by 18.61?(15) and 26.25?(16)°, respectively. In the crystal structure, two inter-molecular Br?Cl close contacts [3.4927?(7) and 3.4325?(7)?Å] are observed.

| S-EPMC2979364 | biostudies-literature

Bis(3-bromo-methyl-2-meth-oxy-1-naphth-yl)methane.

Project description:The title compound, C(25)H(22)Br(2)O(2), crystallizes with two mol-ecules in the asymmetric unit. In each independent mol-ecule, the two naphthalene ring systems are nearly perpendicular to one another, with dihedral angles of 85.6?(1) and 86.2?(1)°. The crystal structure is stabilized by C-H?? inter-actions, and inter- and intra-molecular C-H?O and C-H?Br hydrogen bonds.

| S-EPMC2960732 | biostudies-literature

2-Chloro-N'-[(E)-(2-meth-oxy-1-naphth-yl)methyl-ene]benzohydrazide.

Project description:In the mol-ecule of the title Schiff base compound, C(19)H(15)ClN(2)O(2), the dihedral angle between the benzene ring and naphthyl ring system is 77.1?(2)°. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers through pairs of inter-molecular N-H?O hydrogen bonds, generating rings of graph set R(2) (2)(8).

| S-EPMC2969653 | biostudies-literature

(2E)-Methyl 2-(7-benz-yloxy-1-naphth-yl)-3-meth-oxy-acrylate.

Project description:In the title compound, C(22)H(20)O(4), the dihedral angle between the phenyl and naphthalene ring systems is 86.10 (10)°. The methoxyacrylate group is disordered over two orientations in a 0.905 (3):0.095 (3) ratio.

| S-EPMC3007028 | biostudies-literature

(1R*,2R*)-1-(4-Chloro-phen-yl)-4-dimethyl-amino-1-(3-meth-oxy-2-naphth-yl)-2-(1-naphth-yl)butan-2-ol.

Project description:In the title compound, C(33)H(32)ClNO(2), the benzene ring is oriented at dihedral angles of 6.23?(5) and 66.44?(5)° with respect to the two naphthalene ring systems. An intra-molecular O-H?N hydrogen bond between the hydr-oxy H atom and the amine N atom generates an S(6) ring.

| S-EPMC3006773 | biostudies-literature

3-(6-Meth-oxy-2-naphth-yl)-1-(2-pyrid-yl)prop-2-en-1-one.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(19)H(15)NO(2), in which the dihedral angles between the naphthalene ring system and the pyridine ring are 40.5?(3) and 41.2?(4)°. In the crystal, C-H?O hydrogen bonds link the mol-ecules.

| S-EPMC3006701 | 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