Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,2'-Dimethyl-7,7'-(methyl-enediimino)di-1,8-naphthyridin-1-ium bis-(perchlorate).

ABSTRACT: In the title salt, C(19)H(20)N(6) (2+)·2ClO(4) (-), the two planar 1,8-naphthyridine systems are linked by a methyl-enediamine group with a dihedral angle of 60.6?(1)° between the two systems. The crystal structure involves extensive N-H?O and C-H?O hydrogen bonding.

SUBMITTER: Mo J

PROVIDER: S-EPMC2960735 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,2'-Dimethyl-7,7'-(methyl-enediimino)di-1,8-naphthyridin-1-ium bis-(perchlorate).

Mo Juan J Liu Jian-Hua JH Pan Yu-Shan YS Zhang Su-Mei SM Du Xiang-Dang XD

Acta crystallographica. Section E, Structure reports online 20080806 Pt 9

In the title salt, C(19)H(20)N(6) (2+)·2ClO(4) (-), the two planar 1,8-naphthyridine systems are linked by a methyl-enediamine group with a dihedral angle of 60.6 (1)° between the two systems. The crystal structure involves extensive N-H⋯O and C-H⋯O hydrogen bonding. ...[more]

PMID: 21201691

Similar Datasets

2,2',4,4'-Tetra-methyl-7,7'-diazenediylbis(1,8-naphthyridin-1-ium) bis-(perchlorate).

Project description:In the title salt, C(20)H(20)N(6) (2+)·2ClO(4) (-), the cation is disposed about a center of symmetry at the mid-point of the N=N bond. The 1,8-naphthyridine systems are planar and the ten atoms have a mean deviation of 0.01?Å from the least-squares plane. The two planar 1,8-naphthyridine units are parallel but extend in opposite directions from the diazene bridge. The 1,8-naphthyridine aminium groups inter-act with perchlorate O atoms through N-H?O hydrogen bonds.

| S-EPMC2969279 | biostudies-other

7-(2,2-Dimethylpropanamido)-2-methyl-1,8-naphthyridin-1-ium chloride monohydrate.

Project description:The asymmetric unit of the title compound, C(14)H(18)N(3)O(+)·Cl(-)·H(2)O, comprises a substituted amido-naphthyridine cation, a chloride anion and a water mol-ecule of crystallization. Intra-molecular C-H?O hydrogen bonds generate six-membered rings, producing an S(6) ring motif. The amido group is twisted from the naphthyridine ring, making a dihedral angle of 17.65?(7)°. The crystal structure is stabilized by inter-molecular N-H?O, N-H?Cl, O-H?Cl (× 2), and C-H?O (× 2) hydrogen bonds. These inter-actions linked neighbouring mol-ecules into chains along the a and b axes of the crystal, thus forming mol-ecular sheets parallel to the (001) plane.

| S-EPMC2968242 | biostudies-literature

2,2'-(Imino-dimethyl-ene)dibenz-imid-azol-ium bis-(perchlorate) methanol solvate.

Project description:In the title compound, C(16)H(17)N(5) (2+)·2ClO(4) (-)·CH(3)OH, the dihedral angle between the two benzimidazolium ring systems is 34.6?(1)°. The anions and solvent mol-ecules are linked to the cation by N-H?O hydrogen bonds. In the crystal structure, the combination of N-H?O and O-H?O hydrogen bonds results in two-dimensional layers running parallel to the (010) plane; these are in turn linked by ?-? inter-actions, forming a three-dimensional network.

| S-EPMC2961233 | biostudies-literature

2,2'-Dimethyl-1,1'-[2,2-bis-(bromo-methyl)propane-1,3-di-yl]dibenzimidazole hemihydrate.

Project description:The title compound, C(21)H(22)Br(2)N(4)·0.5H(2)O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].

| S-EPMC3297910 | biostudies-literature

Crystal structures of the dioxane hemisolvates of <i>N</i>-(7-bromo-methyl-1,8-naphthyridin-2-yl)acetamide and bis-[<i>N</i>-(7-di-bromo-methyl-1,8-naphthyridin-2-yl)acetamide].

Project description:The syntheses and crystal structures of N-(7-bromo-methyl-1,8-naphthyridin-2-yl)acetamide dioxane hemisolvate, C11H10BrN3O·0.5C4H8O2, (I), and bis-[N-(7-di-bromo-methyl-1,8-naphthyridin-2-yl)acetamide] dioxane hemisolvate, 2C11H9Br2N3O·0.5C4H8O2, (II), are described. The mol-ecules adopt a conformation with the N-H hydrogen pointing towards the lone electron pair of the adjacent naphthyridine N atom. The crystals of (I) are stabilized by a three-dimensional supra-molecular network comprising N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds, as well as C-Br⋯π halogen bonds. The crystals of compound (II) are stabilized by a three-dimensional supra-molecular network comprising N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds, as well as C-H⋯π contacts and C-Br⋯π halogen bonds. The structure of the substituent attached in the 7-position of the naphthyridine skeleton has a fundamental influence on the pattern of inter-molecular noncovalent bonding. While the Br atom of (I) participates in weak C-Br⋯Oguest and C-Br⋯π contacts, the Br atoms of compound (II) are involved in host-host inter-actions via C-Br⋯O=C, C-Br⋯N and C-Br⋯π bonding.

| S-EPMC5730284 | biostudies-literature

{2,2'-[(2,2-Dimethyl-propane-1,3-di-yl)-bis-(nitrilo-methyl-idyne)]-diphenolato}-dioxidomolybdenum(VI).

Project description:In the structure of the title compound, [Mo(C(19)H(20)N(2)O(2))O(2)], the Mo atom exhibits oxidation state +VI and is surrounded by two O atoms and the tetra-dentate Schiff base ligand 2,2'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]diphenolate in a distorted octa-hedral configuration. An intra-molecular C-H⋯O hydrogen bond between a methyl-ene group and one O atom of the O=Mo(VI)=O unit, as well as additional inter-molecular hydrogen bonds between neighboring mol-ecules, lead to a weakly bonded inversion-symmetric dimeric structure.

| S-EPMC2961957 | biostudies-literature

[?-Bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene]bis-[difluoridoboron(III)].

Project description:In the title compound, C(20)H(18)B(2)F(4)N(6), the bis-(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene molecule is bis-ected by a symmetry centre midway between the central N atoms of the diazene group. Each of the symmetry-related halves of the molecule binds to a B atom through an N,N'-bite. Two terminal F ions complete the distorted BN(2)F(2) tetra-hedral geometry around each B atom. The BF(2) plane is almost perpendicular to the boron-naphthyridine ring plane, with a dihedral angle of 87.8?(2)°. The main inter-actions in the crystal structure are some C-H?F hydrogen bonds and ?-? contacts between 1,8-naphthyridine rings [centroid-centroid distance = 4.005?(1)?Å].

| S-EPMC2969392 | biostudies-other

Crystal structure of μ-oxalodi-hydroxamato-bis-[(2,2'-bipyrid-yl)(di-methyl sulfoxide-κO)copper(II)] bis-(perchlorate).

Project description:The centrosymmetric binuclear complex, [Cu2(C2H2N2O4)(C10H8N2)2(C2H6OS)2](ClO4)2, contains two copper(II) ions, connected through an N-deprotonated oxalodi-hydroxamic acid dianion, two terminal 2,2'-bi-pyridine ligands, and two apically coordinating dimethylsulfoxide mol-ecules. Two non-coordinating perchlorate anions assure electrical neutrality. The copper(II) ions in the complex dication [Cu2(C10H8N2)2(μ-C2H2N2O4)(C2H6SO)2](2+) are in an O2N3 square-pyramidal donor environment, the Cu-Cu separation being 5.2949 (4) Å. Two hydroxamate groups in the deprotonated oxalodi-hydroxamic acid are located trans to one each other. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds link the complex cations to the perchlorate anions. Further C-H⋯O hydrogen bonds combine with π-π contacts with a centroid-to-centroid separation of 3.6371 (12) Å to stack the mol-ecules along the a-axis direction.

| S-EPMC4770973 | biostudies-literature

?-Oxalato-bis-[(2,2'-bipyridyl)-copper(II)] bis(perchlorate) dimethyl-formamide disolvate monohydrate.

Project description:The title compound, [Cu(2)(C(2)O(4))(C(10)H(8)N(2))(4)](ClO(4))(2)·2C(3)H(7)NO·H(2)O, contains doubly charged centrosymmetric dinuclear oxalato-bridged copper(II) complex cations, perchlorate anions, and DMF and water solvate mol-ecules. In the complex cation, the oxalate ligand is coordinated in a bis-bidentate bridging mode to the Cu atoms. Each Cu atom has a distorted tetra-gonal-bipyramidal environment, being coordinated by two N atoms of the two chelating bipy ligands and two O atoms of the doubly deprotonated oxalate anion. Pairs of perchlorate anions and water mol-ecules are linked into recta-ngles by O-H?O bonds in which the perchlorate O atoms act as acceptors and the water mol-ecules as donors. Methyl groups of the DMF solvent molecule are disordered over two sites with occupancies of 0.453?(7):0.547?(7), and the water molecule is half-occupied.

| S-EPMC3008067 | biostudies-literature

3,3'-Dimethyl-1,1'-[2,2'-bipyridine-5,5'-diylbis(methyl-ene)]diimidazol-3-ium bis-(hexa-fluoro-phosphate).

Project description:The title compound, C(20)H(22)N(6) (2+)·2PF(6) (-), was prepared by the reaction of 5,5'-bis-(bromo-meth-yl)-2,2'-bipyridine with 1-methyl-imidazole. The main mol-ecule lies on an inversion center located at the mid-point of the C-C bond joining the two pyridine rings. The asymmetric unit therefore contains one half-mol-ecule and one hexa-fluoro-phosphate anion. The dihedral angle between the pyridine and imidazole rings is 76.93 (7)°. In the crystal, weak inter-molecular C-H⋯F hydrogen bonds contribute to the stabilization of the packing.

| S-EPMC3200939 | 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