Browse
Submit Data
Databases
API
Help

Dataset Information

5 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dibromidobis(pyrazine-2-carboxamide-?N(4))zinc.

ABSTRACT: The title complex, [ZnBr(2)(C(5)H(5)N(3)O)(2)], shows crystallographic mirror symmetry with the Zn atom and the two bromine ligands located on the mirror plane. The Zn atom is four-coordinated in a distorted tetra-hedral fashion by two N atoms from two pyrazine-2-carboxamide ligands and two Br atoms. Only one of the amino H atoms is involved in an N-H?O hydrogen bond. The crystal packing is further stabilized by weak N-H?N and C-H?O inter-actions.

SUBMITTER: Shirvan SA

PROVIDER: S-EPMC3343906 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Dibromidobis(pyrazine-2-carboxamide-κN(4))zinc.

Shirvan Sadif A SA Haydari Dezfuli Sara S

Acta crystallographica. Section E, Structure reports online 20120331 Pt 4

The title complex, [ZnBr(2)(C(5)H(5)N(3)O)(2)], shows crystallographic mirror symmetry with the Zn atom and the two bromine ligands located on the mirror plane. The Zn atom is four-coordinated in a distorted tetra-hedral fashion by two N atoms from two pyrazine-2-carboxamide ligands and two Br atoms. Only one of the amino H atoms is involved in an N-H⋯O hydrogen bond. The crystal packing is further stabilized by weak N-H⋯N and C-H⋯O inter-actions. ...[more]

PMID: 22589874

Similar Datasets

Dichloridobis(pyrazine-2-carboxamide-?N(4))zinc(II).

Project description:In the crystal of the title compound, [ZnCl(2)(C(5)H(5)N(3)O)(2)], the mol-ecule has m symmetry, with the Zn(II) cation and Cl(-) anions located on the mirror plane. The Zn(II) cation is coordinated by two Cl(-) anions and two pyrazine-2-carboxamide ligands in a distorted ZnCl(2)N(2) tetra-hedral geometry. The two pyrazine rings are nearly perpendicular to each other [dihedral angle = 86.61?(10)°]. Inter-molecular N-H?O and N-H?N hydrogen bonds and weak C-H?O inter-actions stabilize the crystal packing.

| S-EPMC3344303 | biostudies-literature

catena-Poly[[[aqua-(pyrazine-2-carboxamide-?(2)N(1),O)zinc]-?-pyrazine-2-carboxamide-?(3)N(1),O:N(4)] dinitrate].

Project description:In the crystal of the title compound, {[Zn(C(5)H(5)N(3)O)(2)(H(2)O)](NO(3))(2)}(n), the Zn(II) cation is N,O-chelated by two pyrazine-2-carboxamide (PCA) ligands and is further coordinated by one water mol-ecule and by one pyrazine-N atom from an adjacent PCA ligand in a distorted ZnN(3)O(3) octa-hedral geometry. One of the two independent PCA ligands bridges two Zn(II) cations, forming a zigzag polymeric chain running along the c axis. In the crystal, the NO(3) (-) anions link to the chain via O-H?O and N-H?O hydrogen bonding. Weak inter-molecular C-H?O inter-actions also occur.

| S-EPMC3344359 | biostudies-other

Diaqua-bis-(nitrato-?(2)O,O')bis-(pyrazine-2-carboxamide-?N(4))cadmium-pyrazine-2-carboxamide (1/2).

Project description:In the title compound, [Cd(NO(3))(2)(C(5)H(5)N(3)O)(2)(H(2)O)(2)]·2C(5)H(5)N(3)O, the Cd(II) cation is located on a twofold rotation axis and is coordinated by two pyrazine-2-carboxamide ligands and two water mol-ecules and chelated by two nitrate anions in a distorted square-anti-prismatic geometry. Extensive inter-molecular N-H?O, N-H?N, O-H?O and O-H?N hydrogen bonds, as well as weak inter-molecular C-H?N and C-H?O inter-actions occur in the crystal. ?-? stacking between between pyrazine rings of coordinating ligands and lattice molecules [centroid-centroid distance = 3.5669?(14)?Å] may further stabilize the structure.

| S-EPMC3393246 | biostudies-literature

N-(2-Chloro-eth-yl)pyrazine-2-carboxamide.

Project description:In the title mol-ecule, C(7)H(8)ClN(3)O, the pyrazine and amide groups are almost co-planar [N-C-C-N torsion angle = -2.4?(2) °], a conformation stabilized by an intra-molecular N-H?N hydrogen bond. The chloro-ethyl group lies out of the plane [N-C-C-Cl = -65.06?(17) °]. In the crystal, the presence of N-H?N hydrogen bonds leads to the formation of a C(6) supra-molecular chain along the b axis. The carbonyl-O atom accepts two C-H?O inter-actions. These, plus Cl?Cl short contacts [3.3653?(6)?Å], consolidate the packing of the chains in the crystal.

| S-EPMC3009184 | biostudies-literature

Crystal structures of N-(pyridin-2-ylmeth-yl)pyrazine-2-carboxamide (monoclinic polymorph) and N-(pyridin-4-ylmeth-yl)pyrazine-2-carboxamide.

Project description:The title compounds, C11H10N4O (HL1) and C11H10N4O (HL2), are pyridine 2-ylmethyl and 4-ylmethyl derivatives, respectively, of pyrazine-2-carboxamide. HL1 was measured at 153?K and crystallized in the monoclinic space group P21/c with Z = 4. There has been a report of the same structure measured at room temperature but assumed to crystallize in the triclinic space group P-1 with Z = 4 [Sasan et al. (2008 ?). Monatsh. Chem. 139, 773-780]. In HL1, the pyridine ring is inclined to the pyrazine ring by 61.34?(6)°, while in HL2 this dihedral angle is 84.33?(12)°. In both mol-ecules, there is a short N-H?N inter-action involving the pyrazine carboxamide unit. In the crystal of HL1, mol-ecules are linked by N-H?N hydrogen bonds, forming inversion dimers with an R 2 (2)(10) ring motif. The dimers are linked via bifurcated-acceptor C-H?O hydrogen bonds, forming sheets lying parallel to (102). The sheets are linked via C-H?N hydrogen bonds, forming a three-dimensional structure. In the crystal of HL2, mol-ecules are linked by N-H?N and C-H?N hydrogen bonds to form chains propagating along [010]. The chains are linked via C-H?O hydrogen bonds, forming sheets lying parallel to (100). Within the sheets there are ?-? inter-actions involving neighbouring pyrazine rings [inter-centroid distance = 3.711?(15)?Å]. Adjacent sheets are linked via parallel slipped ?-? inter-actions involving inversion-related pyridine rings [inter-centroid distance = 3.6395?(17)?Å], forming a three-dimensional structure.

| S-EPMC4120586 | biostudies-literature

catena-Poly[[(pyrazine-2-carboxamide-?N (4))copper(I)]-?3-iodido].

Project description:In the title metal-organic polymeric complex, [CuI(C5H5N3O)] n , the asymmetric unit is composed of one monomer unit of the polymer and one Cu(I) atom linked to one iodide anion and one pyrazine-2-carboxamide mol-ecule. The Cu(I) atom is in a distorted tetra-hedral coordination completed by one pyrazine N atom of the pyrazine-2-carboxamide ligand and three iodide anions. The polymeric structure adopts a well-known ladder-like motif of {CuNI3} tetra-hedra running in the b-axis direction. The mol-ecules of the organic ligand are connected via medium-to-strong N-H?O and N-H?N hydrogen bonds and weak ?-? inter-actions [the distance between two parallel planes of the rings is 3.5476?(14)?Å and the centroid-centroid contact is 4.080?(2)?Å]. The title compound has a relatively high decomposition temperature (564?K) as a result of relatively strong covalent and non-covalent inter-actions inside and between the chains.

| S-EPMC4120587 | biostudies-literature

catena-Poly[[tetra-aqua-copper(II)]-?-pyrazine-2-carboxamide-?(3)N(4):N(1),O-[bis-(sulfato-?O)copper(II)]-?-pyrazine-2-carboxamide-?(3)N(1),O:N(4)].

Project description:In the crystal of the title polymeric compound, [Cu(2)(SO(4))(2)(C(5)H(5)N(3)O)(2)(H(2)O)(4)](n), two independent Cu(II) atoms are located on individual inversion centers. One Cu(II) atom is coordinated by four water mol-ecules and two pyrazine-2-carboxamide ligands in a distorted O(4)N(2) octa-hedral geometry; the other is N,O-chelated by two pyrazine-2-carboxamide ligands and further coordinated by two sulfate anions in a distorted O(4)N(2) octa-hedral geometry. The pyrazine-2-carboxamide ligands bridge the Cu(II) atoms to form a polymeric chain running along [110]. The crystal structure features N-H?O, O-H?O and weak C-H?O hydrogen bonds.

| S-EPMC3414139 | biostudies-literature

Bis(2-amino-pyrazine-?N)dichlorido-zinc.

Project description:In the title adduct, [ZnCl(2)(C(4)H(5)N(3))(2)], the Zn(II) atom lies on a twofold rotation axis that relates one Cl atom to the other as well as one 2-amino-pyrazine ligand to the other; the coordination geometry is a distorted tetra-hedron. In the crystal, adjacent mol-ecules are linked by N-H?N hydrogen bonds across the center of inversion, generating a chain; neighboring chains are linked by N-H?Cl hydrogen bonds, forming a three-dimensional network.

| S-EPMC3212136 | biostudies-literature

N-(2-Phen-oxy-phen-yl)pyrazine-2-carboxamide.

Project description:In the title compound, C(17)H(13)N(3)O(2), the pyrazine ring is oriented at 1.65?(11) and 88.33?(17)° with respect to the benzene rings. The benzene rings are nearly perpendicular to each other [dihedral angle 87.14?(17)°]. In the crystal, a weak C-H?N hydrogen bond occurs.

| S-EPMC3515256 | biostudies-other

Bis(?(2)-pyridine-2-carboxamide oximato)bis-[(pyridine-2-carboxamide oxime)zinc] dinitrate.

Project description:In the title dinuclear compound, [Zn(2)(C(6)H(6)N(3)O)(2)(C(6)H(7)N(3)O)(2)](NO(3))(2), the Zn(II) cation is N,N'-chelated by one pyridine-2-carboxamide oximate anion and one pyridine-2-carboxamide oxime mol-ecule, and is further bridged by an oxime O atom from the adjacent pyridine-2-carboxamide oximate anion, forming a distorted trigonal bipyramidal coordination. Two pyridine-2-carboxamide oximate anions bridge two Zn(II) cations to form the centrosymmetric dinuclear mol-ecule. Extensive O-H?O, N-H?O and O-H?N hydrogen bonds are present in the crystal structure.

| S-EPMC3200762 | 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