Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Chloro-benzo-yl)-3,6-dimethoxy-naphthalene.

ABSTRACT: In the title compound, C(19)H(15)ClO(3), the inter-planar angle between the naphthalene and benzene ring systems is 62.67?(6)°. The carbonyl group is twisted from both ring planes, with torsion angles of -44.9?(2)° with respect to the naphthalene ring and -26.7?(2)° with respect to the phenyl-ene ring. There is an inter-molecular hydrogen bond between an H atom of one meth-oxy group and the O atom of the second meth-oxy group, forming chains along the ac diagonal.

SUBMITTER: Nakaema K

PROVIDER: S-EPMC2960802 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-(4-Chloro-benzo-yl)-3,6-dimethoxy-naphthalene.

Nakaema Kosuke K Okamoto Akiko A Imaizumi Masahiro M Noguchi Keiichi K Yonezawa Noriyuki N

Acta crystallographica. Section E, Structure reports online 20080222 Pt 3

In the title compound, C(19)H(15)ClO(3), the inter-planar angle between the naphthalene and benzene ring systems is 62.67 (6)°. The carbonyl group is twisted from both ring planes, with torsion angles of -44.9 (2)° with respect to the naphthalene ring and -26.7 (2)° with respect to the phenyl-ene ring. There is an inter-molecular hydrogen bond between an H atom of one meth-oxy group and the O atom of the second meth-oxy group, forming chains along the ac diagonal. ...[more]

PMID: 21201947

Similar Datasets

1-(4-Chloro-benzo-yl)-2,7-dimethoxy-naphthalene.

Project description:In the title compound, C(19)H(15)ClO(3), the dihedral angle between the naphthalene ring system and the benzene ring is 72.06?(7)°. The 4-chloro-phenyl group and the carbonyl group are almost coplanar. An inter-molecular C-H?O hydrogen bond is formed between an H atom of the 4-chloro-phenyl group and the O atom of one meth-oxy group, forming a zigzag chain along the a axis.

| S-EPMC2961834 | biostudies-other

(2,7-Dimethoxy-naphthalene-1,8-di-yl)bis-(4-fluoro-benzo-yl)dimethanone.

Project description:The title compound, C(26)H(18)F(2)O(4), is a naphthalene derivative in which the two aroyl groups at the 1- and 8-positions (peri positions) are anti to each other. There is an appreciable difference in the dihedral angles between the naphthalene ring system and the two benzene rings [66.88?(7)° and 88.09?(6)°]. In the crystal, weak C-H?O inter-actions involving one of the carbonyl groups and an aromatic C-H group ortho to the F atom seem to stabilize the packing of the mol-ecules.

| S-EPMC2979763 | biostudies-literature

2,7-Dimethoxy--1-(4-nitro-benzo-yl)-naphthalene.

Project description:In the title compound, C(19)H(15)NO(5), the dihedral angle between the naphthalene ring system and the benzene ring is 61.97?(5)°. The dihedral between the naphthalene ring system and the bridging carbonyl C-C(=O)-C plane is 54.68?(6)°, far larger than that [12.54?(7)°] between the phenyl group and the bridging carbonyl group. The nitro group and the phenyl ring are almost coplanar [O-N-C-C torsion angle = 2.94?(19)°]. In the crystal, mol-ecules are linked by C-H?? inter-actions and the phenyl rings are involved in a centrosymmetric ?-? inter-action with a perpendicular distance of 3.523?Å and a lateral offset of 1.497?Å. In addition, weak inter-molecular C-H?O hydrogen bonds are formed between an H atom of one meth-oxy group and a nearby carbonyl O atom.

| S-EPMC2983576 | biostudies-other

Bis(4-bromo-benzo-yl)(2,7-dimethoxy-naphthalene-1,8-di-yl)dimethanone.

Project description:In the title compound, C(26)H(18)Br(2)O(4), the two 4-bromo-benzoyl groups at the 1- and 8-positions of the naphthalene ring system are anti to each other. The dihedral angle between the two benzene rings is 50.92?(14)°. The dihedral angles between the two benzene rings and the naphthalene ring system are 70.18?(11) and 74.98?(12)°. A weak inter-molecular C-H?O hydrogen bond exists between the methyl group and the carbonyl O atom.

| S-EPMC2979875 | biostudies-other

N,N'-Diisopropyl-3,6-dimethoxy-naphthalene-2,7-disulfonamide.

Project description:In the title compound, C(18)H(26)N(2)O(6)S(2), all bond lengths and angles are normal. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2962128 | biostudies-other

1,4-Bis(chloro-meth-yl)naphthalene.

Project description:In the title mol-ecule, C(12)H(10)Cl(2), the torsion angles C(r)-C(r)-C(m)-Cl around the C(m)-C(r) bonds have values of -104.1?(4) and -101.9?(4)°, where C(m) is a methylene and C(r) is a ring C atom. The mol-ecules related by translation along the b axis are arranged into stacks by ?-? inter-actions between unsubstituted and substituted aromatic rings of the naphthalene ring system (centroid-centroid distance = 3.940?Å).

| S-EPMC2962209 | biostudies-literature

(3,6-Dimeth-oxy-2-naphth-yl)(4-fluoro-benzo-yl)methanone.

Project description:In the title compound, C(19)H(15)FO(3), the dihedral angle between the naphthalene ring system and the benzene ring is 62.93?(5)°. The bridging carbonyl C-C(=O)-C plane makes dihedral angles of 45.55?(6) and 28.62?(7)°, respectively, with the naphthalene ring system and the benzene ring. Weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions stabilize the crystal packing.

| S-EPMC2983725 | biostudies-literature

2-Chloro-N-[4-chloro-2-(2-chloro-benzo-yl)phen-yl]acetamide.

Project description:In the title compound, C(15)H(10)Cl(3)NO(2), an intra-molecular N-H?O hydrogen bond forms a six-membered ring and enforces an almost coplanar conformation for the acetamido group, the central benzene ring and the bridging carbonyl C-C(=O)-C group: the dihedral angles between the benzene ring and the acetamide and carbonyl C-C(=O)-C planes are 7.06?(11) and 7.17?(12)°, respectively. The dihedral angle between the two benzene rings is 67.43?(9)°. Because a strong hydrogen-bond donor is involved in the intra-molecular inter-action, the crystal packing is determined by weak C-H?O and C-H?Cl inter-actions.

| S-EPMC2979893 | biostudies-literature

4-Chloro-N-(2-chloro-benzo-yl)benzene-sulfonamide.

Project description:In the structure of the title compound, C(13)H(9)Cl(2)NO(3)S, the conformation of the N-H bond in the C-SO(2)-NH-C(O) segment is anti to the C=O bond. The mol-ecule is twisted at the S atom with a torsion angle of 65.7?(2)°. The dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 88.5?(1)°, and that between the sulfonyl and the benzoyl benzene rings is 58.0?(1)°. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC2979439 | biostudies-literature

2-Chloro-N-(3-chloro-benzo-yl)benzene-sulfonamide.

Project description:The asymmetric unit of the title compound, C(13)H(9)Cl(2)NO(3)S, contains two independent mol-ecules. The conformation of the C=O bond is anti to the meta-Cl group in the chloro-benzoyl group of one of the mol-ecules and syn in the other. The dihedral angles between the sulfonyl and benzoyl benzene rings are 77.8?(1) and 83.5?(1)°. In the crystal structure, two pairs of independent mol-ecules are linked into a tetra-mer by N-H?O hydrogen bonds.

| S-EPMC2979644 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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