Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of bis-(1,3-bis-{[(1H-pyrrol-2-yl)methyl-idene]amino-?N}propan-2-olato-?O)manganese(III) nitrate methanol monosolvate.

ABSTRACT: The asymmetric unit of the title compound, [Mn(C13H15N4O)2]NO3·CH3OH, contains two independent complex cations, in each of which the Mn(III) ion is located on an inversion centre. The Mn(III) ion is coordinated by four N and two O atoms from two 1,3-bis-{[(1H-pyrrol-2-yl)methyl-idene]amino}-propan-2-olate ligands, resulting in a distorted octa-hedral geometry. The average Mn-ligand bond lengths in the two complex mol-ecules are 2.074 and 2.079?Å. In the crystal, inter-molecular N-H?O hydrogen bonds between the pyrrole group of the ligand and the non-coordinating nitrate ion give rise to a chain structure along [10-1]. The methanol solvent mol-ecule and the nitrate ion are connected by an O-H?O hydrogen bond.

SUBMITTER: Ahn SH

PROVIDER: S-EPMC4257179 | biostudies-other | 2014 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Crystal structure of bis-(1,3-bis-{[(1H-pyrrol-2-yl)methyl-idene]amino-κN}propan-2-olato-κO)manganese(III) nitrate methanol monosolvate.

Ahn Seoung Hyun SH Shin Jong Won JW Moon Dohyun D

Acta crystallographica. Section E, Structure reports online 20140917 Pt 10

The asymmetric unit of the title compound, [Mn(C13H15N4O)2]NO3·CH3OH, contains two independent complex cations, in each of which the Mn(III) ion is located on an inversion centre. The Mn(III) ion is coordinated by four N and two O atoms from two 1,3-bis-{[(1H-pyrrol-2-yl)methyl-idene]amino}-propan-2-olate ligands, resulting in a distorted octa-hedral geometry. The average Mn-ligand bond lengths in the two complex mol-ecules are 2.074 and 2.079 Å. In the crystal, inter-molecular N-H⋯O hydrogen bo ...[more]

PMID: 25484654

Similar Datasets

1,5-Bis(4-meth-oxy-benzyl-idene)thio-carbonohydrazide methanol monosolvate.

Project description:In the title compound, C(17)H(18)N(4)O(2)S·CH(3)OH, the two benzene rings in the thio-carbonohydrazide mol-ecule form a dihedral angle of 22.42?(18)°. Pairs of N-H?S hydrogen bonds link thio-carbonohydrazide mol-ecules into centrosymmetric dimers. Methanol solvent mol-ecules serve as donors (O-H?S and O-H?N) and acceptors (N-H?O and C-H?O) of weak inter-molecular hydrogen bonds, which link further these dimers into double ribbons along the b axis.

| S-EPMC3213573 | biostudies-literature

1,5-Bis(2-meth-oxy-benzyl-idene)thio-carbonohydrazide methanol monosolvate.

Project description:The title compound, C17H18N4O2S·CH3OH, was synthesized by the condensation reaction of o-meth-oxy-benzaldehyde with thio-carbohydrazide in methanol. The two benzene rings are inclined each to other at 31.7 (1)°. Inter-molecular N-H⋯O and bifurcated O-H⋯N(S) hydrogen bonds link two thio-carbonohydrazide and two solvent mol-ecules into a centrosymmetric unit. These units, related by translation along the b axis, are further aggregated into columns through N-H⋯S hydrogen bonds.

| S-EPMC3770410 | biostudies-literature

Bis[?-2-(2,4-difluoro-phen-yl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-olato]dicopper(II) bis-(perchlorate).

Project description:The title complex, [Cu(2)(C(13)H(11)F(2)N(6)O)(2)](ClO(4))(2), which was hydro-thermally synthesized, contains a binuclear copper cluster (2 symmetry) with a Cu(2)O(2) rhombus [Cu-O = 1.927?(2)?Å] formed by donation of two O atoms from two chelate rings. The tridentate function of each ligand is completed by two N atoms coordinated to the two Cu(II) atoms [Cu-N = 1.933?(2)?Å]. The separation distance of two Cu(II) atoms in a cluster is 2.988?(1)?Å. The dihedral angle between the six-membered chelate rings is 2.13?(9)°. The perchlorate counter-anion is disordered over two sites in a 0.58?(10):0.42?(10) ratio.

| S-EPMC2984043 | biostudies-literature

Tetra-aqua-[3-oxo-1,3-bis-(pyridinium-2-yl)propan-1-olato]nickel(II) tribromide dihydrate.

Project description:The crystal structure of the title compound, [Ni(C13H11N2O2)(H2O)4]Br3·2H2O, contains an octa-hedral NiII atom coordinated to the enol form of 1,3-di-pyridyl-propane-1,3-dione (dppo) and four water mol-ecules. Both pyridyl rings on the ligand are protonated, forming pyridinium rings and creating an overall ligand charge of +1. The protonated nitro-gen-containing rings are involved in hydrogen-bonding inter-actions with neighoring bromide anions. There are many additional hydrogen-bonding inter-actions involving coordinated water mol-ecules on the NiII atom, bromide anions and hydration water mol-ecules.

| S-EPMC7001841 | biostudies-literature

Poly[μ-(1,3-dihy-droxy-propan-2-olato)-potassium].

Project description:The asymmetric unit of the title compound, [K(C(3)H(7)O(3))](n) or K[H(2)gl](n), common name potassium glycerolate, contains half the K(+) cation and half of the glycerolate anion. The other half of the anion is generated through a mirror plane passing through the K atom, and a C, an H and an O atom of the glycerolate ligand. The K(+) ion is coordinated by the O atoms of the OH groups, leading to a six-membered chelate ring that adopts a very distorted boat conformation. The negatively charged O atom of the glycerolate anion, [H(2)gl(-)], is found in the flagpole position and forms an ionic bond with the K(+) ion. The O atoms of the hydroxo groups are coordinated to two K(+) ions, whereas the negatively charged O atom is bonded to one K(+) ion. The K(+) ion is coordinated by three other symmetry-related monodentate H(2)gl(-) ligands, so that each H(2)gl(-) ligand is bonded to two K(+) ions, and the potassium has a seven-coordinate environment. The H(2)gl(-) ligands are connected via a strong O-H⋯O hydrogen bond and, together with the K⋯O inter-connections, form polymeric sheets which propagate in the directions of the a and b axes.

| S-EPMC3051664 | biostudies-literature

[?-1,3-Bis(3,5-dimethyl-1H-pyrazol-1-yl-?N)propan-2-olato-?O:O]bis-[(ethanol-?O)zinc(II)] bis-(perchlorate).

Project description:In the centrosymmetric dinuclear title complex, [Zn(2)(C(13)H(19)N(4)O)(2)(C(2)H(5)OH)(2)](ClO(4))(2), the Zn(II) atom is in a distorted trigonal-bipyramidal coordination geometry. The equatorial plane is constructed by one N atom and one O atom from two 1,3-bis-(3,5-dimethyl-pyrazol-1-yl)propan-2-olate (bppo) ligands and one O atom from an ethanol mol-ecule. One N atom and one O atom from the two bppo ligands occupy the axial positions. Inter-molecular O-H?O hydrogen bonds between the ethanol mol-ecules and perchlorate anions, and O?? inter-actions between the perchlorate anions and pyrazole rings [O?centroid distances = 3.494?(3) and 3.413?(3)?Å], lead to a chain structure along [010].

| S-EPMC3011605 | biostudies-literature

Crystal structure of 1,3-bis-[(<i>E</i>)-benzyl-idene-amino]-propan-2-ol.

Project description:In the title compound, C17H18N2O, the central carbon atom with the OH substituent and one of the (E)-benzyl-idene-amino substituents are disordered over two sets of sites with occupancies of 0.851 (4) and 0.149 (4). The relative positions of the two disorder components is equivalent to a rotation of approximately 60° about the C-N single bond. In the crystal, the mol-ecules are held together by O-H⋯N hydrogen bonds, forming simple C(5) chains along the b-axis direction. In addition, pairs of the chains are further aggregated by weak C-H⋯π inter-actions.

| S-EPMC5382637 | biostudies-literature

A hydrogen-bridged adduct 3,4,6,7,8,9-hexa-hydro-2H-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis-(tert-butyl-dimethyl-sil-yloxy)-1,3-bis-(pyridin-2-yl)propan-2-yl-idene]nitro-nate acetonitrile monosolvate.

Project description:The title compound, C(7)H(14)N(3) (+)·C(25)H(40)N(3)O(4)Si(2) (-)·CH(3)CN, was obtained by the reaction of 2-nitro-1,3-di(pyridin-2-yl)-1,3-di(tert-butyl-dimethyl-sil-yloxy)propane with 1,3,4,6,7,8-hexa-hydro-2H-pyrimido[1,2-a]pyrimidine. Two hydrogen bonds stabilize the Lewis acid/base pair of the nitro-nate and the guanidinium moiety with N⋯O distances of 2.772 (3) and 2.732 (3) Å. Both hydrogen atoms are more closely bound to the guanidinium [N-H distances of 0.83 (3) and 0.93 (3) Å] than to the nitro-nate moiety. The nitro-nate is double-bonded to the respective carbon with an N=C bond length of 1.316 (3) Å.

| S-EPMC3200757 | biostudies-literature

Bis[?-2-(2,4-difluoro-phen-yl)-1,3-bis-(1,2,4-triazol-1-yl)propan-2-olato-?N,O:O,N]bis-[(acetato-?O,O')nickel(II)] methanol hemisolvate.

Project description:In the title complex, [Ni(2)(C(13)H(11)F(2)N(6)O)(2)(C(2)H(3)O(2))(2)]·0.5CH(3)OH, there are two half-molecules in the asymmetric unit. The two centrosymmetrically related Ni(II) atoms, each attached to an acetate ligand, are linked by two fluconazole ligands. Each Ni(II) atom is six-coordinated in a distorted octa-hedral geometry by two N atoms of the triazole groups and two bridging O atoms from two different fluconazole ligands and two O atoms from a chelating acetate ligand. In the crystal structure, the half-occupied methanol solvent mol-ecule is linked to a triazole group via an O-H?N hydrogen bond.

| S-EPMC2980145 | biostudies-other

1,3-Bis(propan-2-yl)naphthalene.

Project description:In the title compound, C(16)H(20), one of the isopropyl groups shows almost equal displacements [1.252 (1) and -1.270 (1) Å] of its methyl-C atoms from the mean plane of the naphthalene ring system, while the other shows asymmetric displacements [1.586 (2) and -0.315 (1) Å]. In the crystal, the mol-ecules are linked into sheets lying in the ab plane by three C-H⋯π contacts, two involving donors belonging to the isopropyl groups and the third a donor atom from the naphthalene ring system. The different orientations of the isopropyl groups might be attributed to the fact that the C-H⋯π inter-action involving one of them is enhanced by the C-H⋯π inter-action involving the aromatic ring.

| S-EPMC3238981 | 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