Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2-Amino-3-nitro-benzoato-?O)triphenyl-tin(IV).

ABSTRACT: The asymmetric unit of the title compound, [Sn(C(6)H(5))(3)(C(7)H(5)N(2)O(4))], consists of two independent mol-ecules. In each mol-ecule, the four-coordinated Sn(IV) atom exists in a distorted tetra-hedral geometry and two intra-molecular N-H?O hydrogen bonds with S(6) ring motifs are present. In one mol-ecule, the benzene ring of the 2-amino-3-nitro-benzoate ligand makes dihedral angles of 42.74?(11), 89.66?(13) and 53.04?(10)° with the three phenyl rings. The corresponding dihedral angles for the other mol-ecule are 6.29?(11), 66.55?(11) and 62.33?(10)°. In the crystal, a weak inter-molecular C-H?? inter-action and a ?-? stacking inter-action with a centroid-centroid distance of 3.5877?(12)?Å are observed.

SUBMITTER: Win YF

PROVIDER: S-EPMC3089114 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2-Amino-3-nitro-benzoato-κO)triphenyl-tin(IV).

Win Yip-Foo YF Choong Chen-Shang CS Heng Mei-Hsuan MH Quah Ching Kheng CK Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110413 Pt 5

The asymmetric unit of the title compound, [Sn(C(6)H(5))(3)(C(7)H(5)N(2)O(4))], consists of two independent mol-ecules. In each mol-ecule, the four-coordinated Sn(IV) atom exists in a distorted tetra-hedral geometry and two intra-molecular N-H⋯O hydrogen bonds with S(6) ring motifs are present. In one mol-ecule, the benzene ring of the 2-amino-3-nitro-benzoate ligand makes dihedral angles of 42.74 (11), 89.66 (13) and 53.04 (10)° with the three phenyl rings. The corresponding dihedral angles for ...[more]

PMID: 21754293

Similar Datasets

(4-Chloro-3-nitro-benzoato)triphenyl-tin(IV).

Project description:In the title compound, [Sn(C(6)H(5))(3)(C(7)H(3)ClNO(4))], the four-coordinate Sn(IV) atom exists in a distorted tetra-hedral geometry, formed by a monodentate carboxyl-ate group and three phenyl rings. The conformation is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(5) ring. The aromatic ring of the 4-chloro-3-nitro-benzoate ligand makes dihedral angles of 75.64?(12), 64.37?(12) and 2.97?(12)° with the three phenyl ligands. The O atoms of the nitro group are disordered over two sets of sites in a 0.817?(5):0.183?(5) ratio. In the crystal, mol-ecules are linked via inter-molecular C-H?O hydrogen bonds into chains running parallel to [010].

| S-EPMC3200665 | biostudies-literature

[3-(Dimethyl-amino)benzoato]triphenyl-tin(IV).

Project description:In the title compound, [Sn(C(6)H(5))(3)(C(9)H(10)NO(2))], the Sn atom is coordinated by three phenyl groups and a carboxyl-ate anion in a distorted tetra-hedral geometry. An intra-molecular C-H?O inter-action forms an S(7) ring motif. The dihedral angles between the benzoate group and the other three phenyl rings are 76.94?(8), 66.82?(8) and 42.34?(9)°. The crystal structure is further stabilized by inter-molecular C-H?? inter-actions.

| S-EPMC2959792 | biostudies-literature

(2-Chloro-4-nitro-benzoato)(methanol)triphenyl-tin(IV).

Project description:In the title complex, [Sn(C(6)H(5))(3)(C(7)H(3)ClNO(4))(CH(4)O)], the five-coordinate Sn(IV) atom exists in a trigonal-bipyramidal environment, formed by a monodentate carboxyl-ate group, three phenyl rings and a methanol mol-ecule. The axial sites are occupied by the O atoms of the methanol mol-ecule and the carboxyl-ate group, while the equatorial plane is formed by the C atoms of three phenyl rings. The benzene ring of the 2-chloro-4-nitro-benzoate ligand makes dihedral angles of 66.18?(7), 74.71?(7) and 77.39?(7)° with respect to the three phenyl rings. In the crystal, the mol-ecules are linked via inter-molecular O-H?O and C-H?O hydrogen bonds into a column along the b axis.

| S-EPMC3089065 | biostudies-literature

(Methanol-κO)(2-methyl-3-nitro-benzoato-κO)triphenyl-tin(IV).

Project description:The five-coordinate Sn atom in the title compound, [Sn(C(6)H(5))(3)(C(8)H(6)NO(4))(CH(3)OH)], exists in a trans-C(3)SnO(2) trigonal-bipyramidal coordination polyhedron of which the O atoms of the methanol mol-ecule and carboxyl-ate group occupy the apical sites. In the crystal, adjacent mol-ecules are linked by inter-molecular O-H⋯O inter-actions, generating a helical hydrogen-bonded chain running along the b axis.

| S-EPMC3007999 | biostudies-literature

catena-Poly[[triphenyl-tin(IV)]-?-5-amino-2-nitro-benzoato-?O:O].

Project description:The title compound, [Sn(C(6)H(5))(3)(C(7)H(5)N(2)O(4))](n), forms polymeric chains along [010]. The Sn(IV) ion is five-coordinated in a distorted trigonal-bipyramidal geometry by two monodentate carboxyl-ate groups and three phenyl rings. The axial sites are occupied by the O atoms of two symmetry-related carboxyl-ate groups [O-Sn-O = 170.88?(3)°]. The benzene ring of the 5-amino-2-nitro-benzoate ligand forms dihedral angles of 82.92?(6), 81.10?(6) and 83.54?(6)° with respect to the three phenyl rings. In the crystal, the chains are linked by inter-molecular N-H?O and weak C-H?O inter-actions into a three-dimensional network. The crystal structure is further stabilized by weak inter-molecular C-H?? inter-actions.

| S-EPMC3200871 | biostudies-other

Bis(?(2)-2-amino-5-nitro-benzoato)bis-(2-amino-5-nitro-benzoato)octa-butyldi-?(3)-oxido-tetra-tin(IV).

Project description:In the title complex, [Sn(4)(C(4)H(9))(8)(C(7)H(5)N(2)O(4))(4)O(2)], all four Sn(IV) atoms are five-coordinated with distorted trigonal-bipyramidal SnC(2)O(3) geometries. Two Sn(IV) atoms are coordin-ated by two butyl groups, one benzoate O atom and two bridging O atoms, whereas the other two Sn(IV) atoms are coordinated by two butyl groups, two benzoate O atoms and a bridging O atom. All the butyl groups are equatorial with respect to the SnO(3) trigonal plane. In the crystal, mol-ecules are linked into a two-dimensional layer parallel to the ab plane by inter-molecular N-H?O and C-H?O hydrogen bonds and further stabilized by a ?-? inter-action [centroid-centroid distance = 3.6489?(11)?Å]. Intra-molecular N-H?O and C-H?O hydrogen bonds stabilize the mol-ecular structure. Two of the butyl groups are each disordered over two sets of sites with site-occupancy ratios of 0.510?(4):0.490?(4) and 0.860?(5):0.140?(5).

| S-EPMC3212181 | biostudies-literature

Bis(?(2)-4-amino-3-nitro-benzoato)bis-(4-amino-3-nitro-benzoato)octa-butyldi-?(3)-oxido-tetra-tin(IV).

Project description:The tetranuclear molecules of the title compound, [Sn(4)(C(4)H(9))(8)(C(7)H(5)N(2)O(4))(4)O(2)], reside on a crystallographic inversion center. Both the two independent Sn atoms are five-coordinate, with distorted trigonal-bipyramidal geometries. One Sn atom is coordinated by two O atoms of the carboxyl-ate anions, one bridging O atom and two butyl groups and the other Sn atom is coordinated by an O atom of the carboxyl-ate anion, two bridging O atoms and two butyl groups. All the butyl groups are equatorial with respect to the SnO(3) trigonal plane. The mol-ecular structure is stabilized by intra-molecular N-H?O hydrogen bonds. In the crystal, pairs of inter-molecular bifurcated acceptor N-H?O and C-H?O hydrogen bonds link the mol-ecules into chains along [10]. Weak inter-molecular C-H?? and ?-? inter-actions [centroid-centroid distance = 3.713?(2)?Å] are also observed.

| S-EPMC3009280 | biostudies-literature

catena-Poly[[triphenyl-tin(IV)]-?-2-(cyclo-hexyl-amino-carbon-yl)benzoato-?O:O].

Project description:In the title polymeric complex, [Sn(C(6)H(5))(3)(C(14)H(16)NO(3))](n), adjacent triphenyl-tin cations are bridged by the N-cyclo-hexyl-phthalamate anion through the carboxyl-ate and carbonyl O atoms, forming a helical chain running along the b axis. The amide N atom is a hydrogen-bond donor to the uncoordinated carboxyl-ate O atom. The geometry at the five-coordinate Sn atom is trans-C(3)SnO(2) trigonal-bipyramidal.

| S-EPMC3007350 | biostudies-literature

(Methanol-?O)(2-methyl-3,5-dinitro-benzoato-?O)triphenyl-tin(IV).

Project description:In the title complex, [Sn(C(6)H(5))(3)(C(8)H(5)N(2)O(6))(CH(3)OH)], the Sn(IV) ion is coordinated in a slightly distorted trigonal-bipyramidal geometry by three phenyl ligands in the equatorial plane and by a 2-methyl-3,5-dinitro-benzene-carboxyl-ato ligand and a methanol ligand at the apical sites. In the crystal, complex mol-ecules are linked via inter-molecular O-H?O hydrogen bonds, forming chains along [100].

| S-EPMC3089075 | biostudies-literature

Octa-butyl-bis-(?(2)-2-chloro-5-nitro-benzoato)bis-(2-chloro-5-nitro-benzoato)di-?(3)-oxido-tetra-tin(IV).

Project description:The title complex, [Sn(4)(C(4)H(9))(8)(C(7)H(3)ClNO(4))(4)O(2)], is a cluster formed by a crystallographic inversion center around the central Sn(2)O(2) ring. Both of the two independent Sn atoms are five-coordinated, with distorted trigonal-bipyramidal SnC(2)O(3) geometries. One Sn atom is coordinated by two butyl groups, one O atom of the benzoate anion and two bridging O atoms, whereas the other Sn atom is coordinated by two butyl groups, two O atoms of the benzoate anions and a bridging O atom. The O atoms of the bridging benzoate anion are disordered over two sites with an occupancy ratio of 0.862?(12):0.138?(12). One of the butyl groups coordinated to the Sn(2)O(2) ring is disordered over two sites with an occupancy ratio of 0.780?(8):0.220?(8), whereas both of the two butyl groups coordinated to the other Sn atom are disordered over two sites with occupancy ratios of 0.788?(5):0.212?(5) and 0.827?(10):0.173?(10). All the butyl groups are equatorial with respect to the SnO(3) trigonal plane. In the crystal, complex mol-ecules are stacked down [010] with weak inter-molecular C-H?? inter-actions stabilizing the crystal structure.

| S-EPMC3011528 | 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