Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-(2-Hy-droxy-propane-1,3-di-yl)bis-(2-hy-droxy-benzamide) monohydrate.

ABSTRACT: In the title hydrate, C17H18N2O5·H2O, the complete organic mol-ecule is generated by a crystallographic mirror plane with one C and one O atom lying on the mirror plane. The O atom of the water mol-ecule has m site symmetry. Two symmetry-related intra-molecular O-H?O hydrogen bonds complete S(6) rings in the organic mol-ecule. In the crystal, the components are linked into (010) sheets by O-H?O and N-H?O hydrogen bonds.

SUBMITTER: Yebedri S

PROVIDER: S-EPMC3790446 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-(2-Hy-droxy-propane-1,3-di-yl)bis-(2-hy-droxy-benzamide) monohydrate.

Yebedri Sihem S Louhibi Samira S Bouacida Sofiane S Ourari Ali A Roisnel Thierry T

Acta crystallographica. Section E, Structure reports online 20130928 Pt 10

In the title hydrate, C17H18N2O5·H2O, the complete organic mol-ecule is generated by a crystallographic mirror plane with one C and one O atom lying on the mirror plane. The O atom of the water mol-ecule has m site symmetry. Two symmetry-related intra-molecular O-H⋯O hydrogen bonds complete S(6) rings in the organic mol-ecule. In the crystal, the components are linked into (010) sheets by O-H⋯O and N-H⋯O hydrogen bonds. ...[more]

PMID: 24098265

Similar Datasets

Synthesis and crystal structures of 5,5'-(propane-2,2-di-yl)bis-(2-hy-droxy-benzaldehyde) and 5,5'-(propane-2,2-di-yl)bis-(2-hy-droxy-isophthalaldehyde).

Project description:The title compounds 5,5'-(propane-2,2-di-yl)bis-(2-hy-droxy-benzaldehyde), C17H16O4, (1), and 5,5'-(propane-2,2-di-yl)bis-(2-hy-droxy-isophthalaldehyde), C19H16O6, (2), crystallize with one mol-ecule in the asymmetric unit. In mol-ecule (1), a >C(CH3)2 group bridges two nearly planar salicyl-aldehyde groups [r.m.s deviations = 0.010 (1) and 0.025 (2) Å], each comprising a planar phenyl ring bonded with a hydroxyl and an aldehyde group. Similarly, compound (2) has the same bridging group, but it connects two nearly planar appendants [r.m.s deviations = 0.034 (1) and 0.035 (1) Å], each comprising a phenyl ring bonded with a hydroxyl and two aldehyde groups. Mol-ecule (1) exhibits a bridge angle of 109.5 (2)° with the salicyl-aldehyde planes subtending a dihedral angle of 88.4 (1)°. In contrast, mol-ecule (2) presents a bridge angle of 108.9 (2)° with its appendants subtending a dihedral angle of 79.6 (3)°. Both mol-ecules exhibit two intra-molecular O-H⋯O hydrogen bonds involving the phenolic H atoms and carboxyl O-atom acceptors. In the crystal of (2), O-H⋯O hydrogen bonds between one of the hydroxyl H atoms and a carboxyl O atom from a symmetry-related mol-ecule form a chain along [10]. In addition, (2) exhibits a strong visible luminescence when excited with ultraviolet radiation.

| S-EPMC6281094 | biostudies-literature

N,N'-Bis(3-bromo-2-hy-droxy-benzyl-idene)propane-1,3-di-amine.

Project description:In the title compound, C17H16Br2N2O2, the dihedral angle between the benzene rings is 57.7?(3)°. The conformation of the central N-C-C-C-N chain is gauche-anti [torsion angles = -64.2?(4) and -167.8?(4)°]. Two intra-molecular O-H?N hydrogen bonds occur. In the crystal, molecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC3790441 | biostudies-literature

4,4'-(Propane-1,3-di-yl)dipiperidinium sulfate monohydrate.

Project description:In the title compound, C(13)H(28)N(2) (2+)·SO(4) (2-)·H(2)O, extensive hydrogen-bonding inter-actions between the protonated 4,4'-(propane-1,3-di-yl)dipiperidinium ions, the sulfate anions and the water mol-ecules lead to a three-dimensional pillared and layered structure with the 4,4'-(propane-1,3-di-yl)-dipiperidinium ions acting as the pillars.

| S-EPMC2960564 | biostudies-literature

N,N'-(Propane-1,3-di-yl)bis-(2-amino-benzamide).

Project description:The title compound, C17H20N4O2, was prepared by the reaction between 1,3-di-amino-propane and isatoic anhydride in water. The carbonyl O atoms are involved in intra-molecular hydrogen bonding with the amine group and inter-molecular hydrogen bonding with an amide H atom of an adjacent mol-ecule. In the crystal, pairs of N-H?O hydrogen bonds link mol-ecules into inversion dimers and further N-H?O hydrogen bonds link the dimers into ladder-like chains along the a axis.

| S-EPMC3647868 | biostudies-other

Bis(?-2-hy-droxy-methyl-2-methyl-propane-1,3-diolato)bis-[di-chlorido-titanium(IV)] diethyl ether disolvate.

Project description:The title complex, [Ti2Cl4{CH3C(CH2O)2(CH2OH)}2], lies across a centre of symmetry with a diethyl ether solvent mol-ecule hydrogen bonded to the -CH2OH groups on either side of it. The Ti(IV) atom is coordinated in a distorted octa-hedral geometry by a tripodal ligand and two terminal chloride atoms. There are three coordination modes for the tripodal ligand distinguishable on the basis of their very different Ti-O bond lengths. For the terminal alkoxo ligand, the Ti-O distance is 1.760?(1)?Å, the asymmetric bridge system has Ti-O bond lengths of 1.911?(1) and 2.048?(1)?Å. The Ti-O bond length for the alcohol O atom is the longest at 2.148?(1)?Å.

| S-EPMC3885006 | biostudies-literature

2,2'-(Propane-1,3-di-yl)bis-(2H-indazole).

Project description:The title mol-ecule, C(17)H(16)N(4), is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C(3) chain, and the mol-ecule is placed on a general position, in contrast to the analogous compound with a central C(2) ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title mol-ecule, indazole rings make a dihedral angle of 60.11?(7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped mol-ecule. In the crystal, mol-ecules inter-act weakly through ?-? contacts between inversion-related pyrazole rings, with a centroid-centroid separation of 3.746?(2)?Å.

| S-EPMC3213583 | biostudies-literature

(E)-1,1'-Bis[(E)-but-2-en-yl]-3,3'-(propane-1,3-di-yl)bis-(1H-benzimidazol-3-ium) dibromide monohydrate.

Project description:The title compound, C(25)H(30)N(4) (2+)·2Br(-)·H(2)O, was synthesized from 1,1'-propyl-enedibenzimidazole and (E)-1-bromo-but-2-ene in dimethyl-formamide solution. The two benzimidazole ring systems are essentially planar, with maximum deviations of 0.011?(4) and 0.023?(3)?Å. The dihedral angle between these two ring systems is 25.87?(15)°. The crystal structure is stabilized by inter-molecular O-H?Br and C-H?Br hydrogen-bonding inter-actions. Atmospheric water was incorporated into the crystal structure.

| S-EPMC2959630 | biostudies-literature

Poly[[?-2,2'-diethyl-1,1'-(propane-1,3-di-yl)di-1H-imidazole-?N:N](?-5-hy-droxy-isophthalato-?O:O)zinc].

Project description:In the title coordination polymer, [Zn(C(8)H(4)O(5))(C(13)H(20)N(4))](n), the Zn(II) ion is coordinated by an O(2)N(2) donor set in a distorted tetra-hedral geometry. The Zn(II) ions are connected by 5-hy-droxy-isophthalate (hbdc) and 2,2'-diethyl-1,1'-(propane-1,3-di-yl)di-1H-imidazole (pbie) ligands, forming a threefold inter-penetrating diamondoid framework. In the pbie ligand, one of the ethyl-imidazole groups is disordered over two positions, with a site-occupancy ratio of 0.670?(9):0.330?(9). An inter-molecular O-H?O hydrogen bond is formed between the hy-droxy and carboxyl-ate groups of the hbdc ligands.

| S-EPMC3246967 | biostudies-literature

1,1'-(Propane-1,3-di-yl)bis-(3-phenyl-urea).

Project description:The title compound, C(17)H(20)N(4)O(2), has crystallographic inversion symmetry. In the crystal structure, inter-molecular hydrogen bonding between adjacent urea groups gives rise to infinite polymeric chains diagonally across the bc plane. With a centroid-centroid distance of 3.295?(2)?Å, ?-? stacking is present in the crystal along the same plane.

| S-EPMC3201411 | biostudies-literature

2,2'-{[2-(2-Hy-droxy-phen-yl)-4-methyl-imidazolidine-1,3-di-yl]bis-(methyl-ene)}diphenol.

Project description:The asymmetric unit in the title compound, C24H26N2O3, comprises two independent mol-ecules (A and B). In molecule A, the central 2-hydroxyphenyl ring is inclined to the mean plane of the major component of the imidazolidine ring by 84.52?(14)°, and by 68.08?(9) and 47.48?(9)° to the outer phenol rings. The later are inclined to one another by 66.76?(9)° and by 78.12?(14) and 80.20?(14)° to the imidazoline ring mean plane. In molecule B, the central 2-hydroxyphenyl ring is inclined to the mean plane of the imidazolidine ring by 73.64?(10)°, and by 75.60?(8) and 38.32?(9)° to the outer phenol rings. The later are inclined to one another by 69.47?(9)° and by 82.60?(10) and 64.26?(10)° to the imidazolidine ring mean plane. In each of the independent mol-ecules, two intra-molecular O-H?N hydrogen bond form S(6) ring motifs. In disordered mol-ecule A, the O-H groups of the 2-hy-droxy-benzyl groups are also involved in intra-molecular O-H?O hydrogen bonds, with the O atom of the hy-droxy-phenyl group acting as the acceptor. In the crystal, A molecules are linked by pairs of O-H?O hydrogen bonds forming inversion dimers. These dimers are linked to the B molecules via O-H?O hydrogen bonds forming double-layered slabs lying parallel to the bc plane.

| S-EPMC3793786 | 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