Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4'-{[1,2-Phenyl-enebis(methyl-ene)]bis-(-oxy)}di-benzoic acid di-methyl-formamide disolvate.

ABSTRACT: In the title solvate, C22H18O6·2C3H7NO, the complete dicarboxylic acid molecule is generated by a crystallographic twofold axis, which bisects the central benzene ring and one N,N-di-methyl-formamide solvent mol-ecule. The dihedral angle between the central and pendant benzene rings is 54.53?(5)° while that between the pendant rings is 45.44?(5)°. In the crystal, the acid molecules are linked to the solvent molecules via O-H?O and weak C-H?O hydrogen bonds. Further weak C-H?O inter-actions link adjacent acid mol-ecules into a three-dimensional network.

SUBMITTER: Qiu ZZ

PROVIDER: S-EPMC4011299 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,4'-{[1,2-Phenyl-enebis(methyl-ene)]bis-(-oxy)}di-benzoic acid di-methyl-formamide disolvate.

Qiu Zhen-Zhe ZZ Jing Bi B Li Qiu-Xia QX Zhu Ai-Xin AX

Acta crystallographica. Section E, Structure reports online 20140412 Pt 5

In the title solvate, C22H18O6·2C3H7NO, the complete dicarboxylic acid molecule is generated by a crystallographic twofold axis, which bisects the central benzene ring and one N,N-di-methyl-formamide solvent mol-ecule. The dihedral angle between the central and pendant benzene rings is 54.53 (5)° while that between the pendant rings is 45.44 (5)°. In the crystal, the acid molecules are linked to the solvent molecules via O-H⋯O and weak C-H⋯O hydrogen bonds. Further weak C-H⋯O inter-actions link ...[more]

PMID: 24860345

Similar Datasets

4,4'-{[1,1'-Methyl-enebis(naphthalene-2,1-di-yl)]bis-(-oxymethyl-ene)}di-benzo-nitrile.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(37)H(26)N(2)O(2). The crystal structure is stabilized by a weak intra-molecular hydrogen bond as well as C-H⋯π inter-actions.

| S-EPMC2960981 | biostudies-literature

4,4'-({[(Pyridine-2,6-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-(methyl-ene))dibenzo-nitrile.

Project description:The complete title molecule, C23H19N3O2, is generated by a twofold axis passing through the central ring. The two oxymethyl-benzo-nitrile arms are attached at the meta positions of the central pyridine ring. The dihedral angle between the pyridine ring and benzene ring of both arms is 84.55 (6)° while the benzene rings make a dihedral angle of 46.07 (7)°. In the crystal, weak C-H⋯π inter-actions link the molecules sheets parallel to the ac plane.

| S-EPMC3998298 | biostudies-literature

Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenyl-enebis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzaldehyde) and 4,4'-{[(1,4-phenyl-ene-bis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzalde-hyde).

Project description:The title compounds, C24H22O6 (I) and C24H22O6 (II), each crystallize with half a mol-ecule in the asymmetric unit. The whole mol-ecule of compound (I) is generated by twofold rotation symmetry, the twofold axis bis-ecting the central benzene ring. The whole mol-ecule of compound (II) is generated by inversion symmetry, the central benzene ring being located on an inversion center. In (I), the outer benzene rings are inclined to each other by 59.96 (10)° and by 36.74 (9)° to the central benzene ring. The corresponding dihedral angles in (II) are 0.0 and 89.87 (12)°. In the crystal of (I), mol-ecules are linked by C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming ribbons propagating along the [10] direction. In the crystal of (II), mol-ecules are linked by C-H⋯O hydrogen bonds, forming a supra-molecular framework. The Hirshfeld surface analyses indicate that for both compounds the H⋯H contacts are the most significant, followed by O⋯H/H⋯O and C⋯H/H⋯C contacts.

| S-EPMC6658956 | biostudies-literature

Bis{?-4,4'-dibromo-2,2'-[o-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato}bis-[chloridomanganese(III)] N,N-dimethyl-formamide disolvate.

Project description:The asymmetric unit of the title compound, [Mn(2)(C(20)H(12)Br(2)N(2)O(2))(2)Cl(2)]·2C(3)H(7)NO, contains one half of a centrosymmetric dinuclear Mn(III) complex and an N,N-dimethyl-formamide solvent mol-ecule. In the complex, the two Mn(III) ions are bridged by two O atoms from two symmetry-related N,N'-bis-(5-bromo-salicyl-idene)-1,2-diimino-benzene dianionic ligands with the longer Mn-O distance of 2.703?(3)?Å, thus each Mn ion is six-coordinated by two N and three O atoms from the two dianionic ligands and one capping Cl atom in a distorted octa-hedral environment. The crystal structure displays inter-molecular ?-? inter-actions between adjacent benzene rings, with a shortest centroid-centroid distance of 3.673?(2)?Å, and inter-molecular C-H?O, C-H? Cl and C-H? Br hydrogen bonds.

| S-EPMC2979766 | biostudies-literature

4,4'-(Anthracene-9,10-di-yl)dibenzoic acid dimethyl-formamide disolvate.

Project description:In the title compound, C(28)H(18)O(4)·2C(3)H(7)NO, the dihedral angle between the benzene rings and the anthracene system is 74.05?(12)°. A crystallographic inversion centre is located in the middle of the anthracene unit. The dimethyl-formamide solvent mol-ecules are partially disordered over two positions of approximately equal occupancy [0.529?(6):0.471?(6)]. Inter-molecular O-H?O hydrogen bonds with the major occupancy formamide O atom as acceptor result in the formation of 2:1 solvate-complex aggregates, which are alternately linked to shorter solvate units via weak inter-molecular C-H?O contacts generated from the rotational disorder of the formamide O atom (minor occupancy component). Weak C-H?? inter-actions between the solvent mol-ecules as the donor and the outer anthracene rings support these contacts in the crystal structure for both disorder components.

| S-EPMC2969536 | biostudies-literature

4,4'-Dimethyl-2,2'-[1,2-phenyl-enebis(nitrilo-methyl-idyne)]diphenol.

Project description:In the title Schiff base, C(22)H(20)N(2)O(2), the benzene ring forms dihedral angles of 53.92 (1) and 3.62 (1)° with the two salicylaldimine groups. There are two strong O-H⋯N intra-molecular hydrogen bonds. The crystal packing is stabilized by weak inter-molecular C-H⋯O hydrogen bonds and π-π stacking inter-actions (average distance 3.39 Å).

| S-EPMC2915229 | biostudies-literature

2,2'-(Diselane-1,2-di-yl)dinicotinamide N,N'-dimethyl-formamide disolvate.

Project description:The asymmetric unit of the title compound, C(12)H(10)N(4)O(2)Se(2)·2C(3)H(7)NO, contains two solvent mol-ecules and two half mol-ecules of the dinicotinamide, each of which sits on a center of symmetry passing through the middle of the Se-Se bond. In each mol-ecule, the two pyridyl groups and diseleno group are approximately coplanar (r.m.s. deviations from planarity for all non-H atoms = 0.011 and 0.008?Å in the two mol-ecules). Inter-molecular N-H?O hydrogen bonds stablilize the crystal packing.

| S-EPMC2979017 | biostudies-literature

1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(4,1-phenyl-ene)}diethanone.

Project description:The centroid of the central aromatic ring of the title mol-ecule, C(24)H(22)O(4), is located on an inversion center. The dihedral angle between the central and terminal benzene rings is 75.00 (7)°. In the crystal, mol-ecules are linked through C-H⋯O hydrogen bonds into chains along [121]. The chains are connected into layers via C-H⋯π inter-actions.

| S-EPMC3238835 | biostudies-literature

1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(3,1-phenyl-ene)}diethanone.

Project description:In the title compound, C(24)H(22)O(4), the centroid of the central benzene ring lies on a special position of 2/m site symmetry, while the terminal aromatic rings are located on a mirror plane. The central and terminal benzene rings are perpendic-ular to each other. In the crystal, the mol-ecules are connected via C-H⋯O hydrogen bonds into a three-dimensional polymeric structure. The network is further consolidated by a C-H⋯π inter-action.

| S-EPMC3238815 | biostudies-literature

N,N'-[1,3-Phenyl-enebis(methyl-ene)]di-p-toluenesulfonamide.

Project description:In the title compound, C(22)H(24)N(2)O(4)S(2), the dihedral angles between the central benzene ring and the pendant rings are 66.96 (13) and 69.37 (13)°. The torsion angles for the C-N-S-C fragments are -68.5 (3) and -72.6 (3)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds to generate infinite (001) sheets containing R(4) (4)(28) loops. A weak aromatic π-π stacking contact between one of the terminal benzene rings and its inversion-related partner is also observed [centroid-to-centroid separation = 3.796 (2) Å and slippage = 1.581 Å], as are two possible C-H⋯π contacts.

| S-EPMC3343931 | 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