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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

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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

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 ?-? 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

6-Chloro-1-methyl-indoline-2,3-dione.

Project description:The title mol-ecule, C(9)H(6)ClNO(2), is essentially planar: the maximum deviation from the mean plane of the indoline ring is 0.020?(2)?Å and the substituents do not deviate by more than 0.053?(2)?Å from this plane. C-H?O hydrogen bonds help to consolidate the crystal structure.

| S-EPMC3254355 | biostudies-literature

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