Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Chloro-3-(4-methyl-anilino)naph-tha-lene-1,4-dione.

ABSTRACT: In the title compound, C17H12ClNO2, the naphtho-quinone system is essentially planar [maximum deviation = 0.078 (2) Å] and makes a dihedral angle of 52.38 (7)° with the benzene ring. The crystal structure features N-H⋯O inter-actions.

SUBMITTER: Gao LJ

PROVIDER: S-EPMC3588974 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Poly[(?-4,4'-bipyridine)(?-naph-tha-lene-1,4-dicarboxyl-ato)iron(II)].

Project description:The asymmetric unit of the title compound, [Fe(C(12)H(6)O(4))(C(10)H(8)N(2))], consists of two independent Fe(II) atoms, two naphthalene-1,4-dicarboxyl-ate anions and two 4,4'-bipyridine ligands. The Fe(II) atoms are each coordinated by four O atoms of the naphthalene-1,4-dicarboxyl-ate anions and two N atoms of the 4,4'-bipyridine ligands within a distorted octa-hedron. Two Fe(II) atoms are bridged via the carboxyl-ate groups of two symmetry-related anions into dimers, which are further connected into chains. These chains are linked by additional anions into layers that are finally connected by the 4,4'-bipyridine ligands into a three-dimensional coordination network.

| S-EPMC2968022 | biostudies-literature

1,8-Dibenzoyl-naph-tha-lene-2,7-diyl dibenzoate.

Project description:In the title compound, C(38)H(24)O(6), the phenyl rings of the benzoyl and benzo-yloxy groups make dihedral angles of 67.12?(5), 85.15?(5), 76.41?(5) and 71.47?(5)° with the naphthal-ene ring system. In the crystal, C-H?O hydrogen bonds link mol-ecules into chains parallel to the b axis. The structure also features C-H?? and ?-? stacking inter-actions, with centroid-centroid distances in the range 3.6441?(7)-3.9197?(8)?Å.

| S-EPMC3414365 | biostudies-literature

Bis(1H-imidazole-κN)bis-(1-naph-tha-lene-acetato-κO,O')cadmium(II).

Project description:In the mononuclear title compound, [Cd(C(12)H(9)O(2))(2)(C(3)H(4)N(2))(2)], the Cd(II) centre has a distorted octa-hedral coordination geometry defined by four O atoms from two naphthalene-acetate ligands and two N atoms from two imidazole ligands. The mol-ecules are linked by N-H⋯O hydrogen bonds, forming a layer network.

| S-EPMC2961099 | biostudies-literature

(18-Crown-6)potassium [(1,2,5,6-?)-cyclo-octa-1,5-diene][(1,2,3,4-?)-naph-tha-lene]-ferrate(-I).

Project description:The title salt, [K(C(12)H(24)O(6))][Fe(C(8)H(12))(C(10)H(8))], is the only known naphthalene complex containing iron in a formally negative oxidation state. Each (naphthalene)(1,5-cod)ferrate(-I) anion is in contact with one (18-crown-6)potassium cation via K?C contacts to the outer four carbon atoms of the naphthalene ligand (cod = 1,5-cyclo-octa-diene, 18-crown-6 = 1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne). When using the midpoints of the coordinating olefin bonds, the overall geometry of the coordination sphere around iron can be best described as distorted tetra-hedral. The naphthalene fold angle between the plane of the iron-coordinating butadiene unit and the plane containing the exo-benzene moiety is 19.2?(1)°.

| S-EPMC3470125 | biostudies-literature

4'-Phenyl-3,4-di-hydro-2H-spiro-[naph-tha-lene-1,3'-[1,2,4]triazole]-5'-thione.

Project description:In the title mol-ecule, C17H15N3S, the phenyl group makes a dihedral angle of 57.29?(11)° with the mean plane of the triazole ring, which in turn makes an angle of 86.83?(12)° with the plane of the aromatic portion of the tetra-hydro-naphthalene moiety. In the crystal, mol-ecules are linked by weak C-H?S hydrogen bonds into supra-molecular chains propagating along the a-axis direction. Weak C-H?? inter-actions are also observed.

| S-EPMC4051013 | biostudies-literature

5-[(2-Chloro-4-nitro-anilino)methyl-idene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Project description:In the title compound, C(13)H(11)ClN(2)O(6), the dihedral angles between the benzene ring and the amino-methyl-ene unit and between the amino-methyl-ene group and the dioxane ring are 8.19?(14) and 1.39?(17)°, respectively. The dioxane ring has a half-boat conformation, in which the C atom between the dioxane O atoms is 0.662?(4)Å out of the plane through the remaining ring atoms. Intra-molecular N-H?O and N-H?Cl inter-actions occur.

| S-EPMC3051652 | biostudies-literature

1,4-Bis(4-chloro-phen-yl)butane-1,4-dione.

Project description:The mol-ecule of title compound, C(16)H(12)Cl(2)O(2), is centrosymmetric. Thus, the asymmetric unit comprises two half-mol-ecules. The two benzene rings are coplanar in each independent molecule (dihedral angles = 0°). The crystal packing exhibits inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC2959836 | biostudies-literature

N-(3-Chloro-1,4-dioxo-1,4-di-hydro-naph-thalen-2-yl)-N-propionylpropionamide.

Project description:In the title mol-ecule, C16H14ClNO4, the four essentially planar atoms of the imide group [r.m.s. deviation = 0.0286 (11) Å] form a dihedral angle of 77.36 (13)° with the naphtho-quinone group [maximun deviation = 0.111 (2) Å for the carbonyl O atom in the naphthalene 1-position] and the two imide carbonyl groups are oriented anti with respect to each other. In the crystal, mol-ecules are connected by weak C-H⋯O hydrogen bonds, as well as π-π stacking inter-actions [centroid-centroid distance = 3.888 (3) Å], forming a three-dimensional network.

| S-EPMC3998274 | biostudies-literature

1,4-Bis(4-chloro-phen-yl)-2-hydroxy-butane-1,4-dione.

Project description:In the title compound, C(16)H(12)Cl(2)O(3), the benzene rings form a dihedral angle of 2.0?(3)°. Within the central O=C-CH(2)C(H)OH-C=O unit, the carbonyl groups are coplanar and lie to opposite sides [O-C?C-O = -170.1?(6)°]. In the crystal, inter-molecular O-H?O hydrogen bonds formed between the hydr-oxy groups lead to a supra-molecular chain along the c axis. In addition, the crystal packing features some very weak C-H?? inter-actions.

| S-EPMC2979451 | biostudies-literature

(Z)-2,3-Di-chloro-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione.

Project description:The title compound, C16H8Cl4O2, crystallizes with two independent mol-ecules in the asymmetric unit. Both mol-ecules have a Z conformation around the central double bond and they show significantly different C-C-C-O torsion angles between the aromatic ring and the carbonyl group [30.1?(7) and 3.9?(7)° in one molecule and 23.5?(7) and 9.3?(8)° in the other]. The crystal packing shows short halogen Cl?O [3.003?(5) and 3.246?(4)?Å] and Cl?Cl [3.452?(2)?Å] contacts and aromatic C-H?Cl and C-H?O inter-actions link the molecules, resulting in chains propogating along [100]. The crystal structure also features ?-? stacking inter-actions between aromatic units of the two independent mol-ecules, with a centroid-centroid distance of 3.9264?(6)?Å.

| S-EPMC4158494 | 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