Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis{1-[(benzo-yloxy)meth-yl]-1H-1,2,3-benzotriazole-?N(3)}(nitrato-?(2)O,O')-silver(I).

ABSTRACT: In the crystal structure of the title coordination compound, [Ag(NO(3))(C(14)H(11)N(3)O(2))(2)], the Ag(I) atom is four-coordinated in a distorted tetra-hedral geometry by two O atoms from one nitrate group and two N atoms from two different 1-[(benzo-yloxy)meth-yl]-1H-1,2,3-triazole ligands. In the complex, the two coordinated benzotriazole rings rings are nearly perpendicular, the dihedral angle between their planes being 87.08?(6)°.

SUBMITTER: Xu S

PROVIDER: S-EPMC3343790 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis{1-[(benzo-yloxy)meth-yl]-1H-1,2,3-benzotriazole-κN(3)}(nitrato-κ(2)O,O')-silver(I).

Xu Sen S Shen Yingzhong Y

Acta crystallographica. Section E, Structure reports online 20120303 Pt 4

In the crystal structure of the title coordination compound, [Ag(NO(3))(C(14)H(11)N(3)O(2))(2)], the Ag(I) atom is four-coordinated in a distorted tetra-hedral geometry by two O atoms from one nitrate group and two N atoms from two different 1-[(benzo-yloxy)meth-yl]-1H-1,2,3-triazole ligands. In the complex, the two coordinated benzotriazole rings rings are nearly perpendicular, the dihedral angle between their planes being 87.08 (6)°. ...[more]

PMID: 22589764

Similar Datasets

{4-[(2,4-Dichloro-benzo-yloxy)meth-yl]-1-phenyl-1H-1,2,3-triazol-5-yl}methyl 2,4-dichloro-benzoate.

Project description:In the title molecule, C(24)H(15)Cl(4)N(3)O(4), the triazole ring makes dihedral angles of 72.02?(12), 81.60?(12) and 73.82?(11)°, respectively, with the adjacent phenyl ring and the two dichloro-benzene rings. In the crystal, a weak C-H?N inter-action, a short Cl?Cl contact [3.307?(2)?Å] and a ?-? stacking inter-action [centroid-centroid distance = 3.568?(4)?Å] are observed. An intra-molecular C-H?O inter-action is also present.

| S-EPMC3201422 | biostudies-literature

Bis{μ-1-[(2-ethyl-1H-imidazol-1-yl)meth-yl]-1H-benzotriazole}bis-(iodido-cadmium).

Project description:The dinuclear title complex, [Cd(2)I(4)(C(12)H(13)N(5))(2)], lies on a crystallographic center of inversion. The Cd(II) atom is four-coordinated by two N atoms from two 1-[(2-ethyl-1H-imidazol-1-yl)meth-yl]-1H-benzotriazole (bmei) ligands and two terminal I atoms in a distorted tetra-hedral coordination environment. The Cd(II) atoms are connected to each other by two bridging bmei ligands. The benzotriazole rings in adjacent mol-ecules are almost parallel, with an average inter-planar distance of 3.3400 (2) Å and a centroid-centroid distance of 4.852 (2) Å.

| S-EPMC3152091 | biostudies-literature

1-Benz-yloxy-1H-benzotriazole.

Project description:In the title compound, C(13)H(11)N(3)O, the dihedral angle between the benzotriazole ring system [maximum deviation = 0.027 (16) Å] and the benzene ring is 10.28 (9)°. The C-C-O-N bond adopts an anti conformation [torsion angle = -177.11 (16)°]. In the crystal, the mol-ecules inter-act via weak C-H⋯π inter-actions and aromatic π-π stacking [centroid-to-centroid distance = 3.731 (12) Å].

| S-EPMC3394030 | biostudies-literature

1-[2-(1H-Benzimidazol-2-yl)eth-yl]-1H-1,2,3-benzotriazole.

Project description:In the title compound, C(15)H(13)N(5), the N-containing heterocycles are linked by an ethyl-ene spacer in a gauche conformation, the N-C-C-C torsion angle along the linker being 60.1?(3)°. The dihedral angle between the terminal benzotriazole and benzimidazole rings is 39.02?(6)°. In the crystal, adjacent mol-ecules are connected by N-H?N hydrogen bonds, forming an infinite chain along the c axis. ?-? stacking inter-actions [centroid-centroid distance = 3.8772?(7)?Å] between the benzotriazole rings of neighbouring chains extend these chains into a supra-molecular sheet in the bc plane. Weak inter-molecular C-H?N inter-actions further stabilize the crystal structure.

| S-EPMC3238838 | biostudies-other

1-Chloro-1H-1,2,3-benzotriazole.

Project description:The title compound, C6H4ClN3, is essentially planar, with a maximum deviation of 0.007?(3)?Å. In the crystal, a short contact of 2.818?(3)?Å is observed between N and Cl atoms of adjacent mol-ecules.

| S-EPMC3589014 | biostudies-literature

1-[2-(2,4-Dichloro-benz-yloxy)-2-(furan-2-yl)eth-yl]-1H-benzotriazole.

Project description:In the title compound, C(19)H(15)Cl(2)N(3)O(2), the benzotriazole ring system is approximately planar [maximum deviation = 0.018?(2)?Å] and its mean plane is oriented at dihedral angles of 30.70?(5) and 87.38?(4)°, respectively, to the furan and benzene rings while the dihedral angle between furan and benzene rings is 74.46?(6)°. In the crystal, weak C-H?N hydrogen bonds link the mol-ecules into chains along the b axis. ?-? stacking inter-actions between the parallel dichloro-benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.6847?(9)?Å] and weak C-H?? inter-actions are also observed.

| S-EPMC3254483 | biostudies-literature

catena-Poly[[chloridocadmium(II)]bis-{μ-1-[(2-ethyl-1H-imidazol-1-yl)meth-yl]-1H-benzotriazole}[chloridocadmium(II)]di-μ-chlorido].

Project description:In the polymeric title complex, [CdCl(2)(C(12)H(13)N(5))](n), the Cd(II) atom is five-coordinated by two N atoms from two bridging 1-[(2-ethyl-1H-imidazol-1-yl)meth-yl]-1H-benzotriazole (bmei) ligands, two bridging Cl atoms and one terminal Cl atom in a distorted trigonal-bipyramidal geometry. The Cd(II) atoms are connected alternately by the Cl atoms and bmei ligands, leading to a zigzag chain extending parallel to [011]. π-π inter-actions, with a centroid-centroid distance of 3.3016 (3) Å, help to stabilize the crystal packing.

| S-EPMC3151992 | biostudies-literature

4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth-yl]-2H-1,4-benzo-thia-zin-3(4H)-one.

Project description:In the title compound, C18H16N4OS, the six-membered heterocycle of the benzo-thia-zine fragment exhibits a screw-boat conformation. The dihedral angles between the plane through the triazole ring and those through the fused and terminal benzene rings are 76.68 (11) and 71.0 (1)°, respectively; the benzene rings are nearly perpendicular [dihedral angle = 79.6 (1)°]. In the crystal, mol-ecules are linked by C-H⋯N and C-H⋯O inter-actions, forming a three-dimensional network.

| S-EPMC3998319 | biostudies-literature

1-Chloro-methyl-1H-1,2,3-benzotriazole.

Project description:In the title compound, C(7)H(6)ClN(3), the benzotriazole ring is essentially planar with a maximum deviation of 0.0110?(15)Å, and makes a dihedral angle of 0.46?(8)° with the benzene ring. In the crystal, mol-ecules are linked through inter-molecular C-H?N hydrogen bonds, forming chains along the c axis.

| S-EPMC3011609 | biostudies-literature

Ethyl 2-{4-[(1,5-dibenzyl-2,4-dioxo-2,3,4,5-tetra-hydro-1H-1,5-benzo-diazepin-3-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate.

Project description:The reaction of 1,5-dibenzyl-3-propargyl-1,5-benzodiazepine-2,4-dione with ethyl azido-acetate in the presence of copper sulfate pentahydrate and sodium ascorbate leads to the formation of the title regioisomer, C(30)H(29)N(5)O(4), which features a phenyl-ene ring fused with a seven-membered diazepinyl ring. The latter ring adopts a boat conformation (with the methyl-triazolylacetate-bearing C atom as the prow and the fused-ring C atoms as the stern). The benzyl groups connected to the diazepinyl ring jprotrude from the sides; the methyl-triazolylacetate substituent occupies an axial position.

| S-EPMC2980270 | 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