Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(4-Methylbenzenesulfonamido)benzoic acid N,N-dimethyl-formamide mono-solvate.

ABSTRACT: In the title compound, C(14)H(13)NO(4)S·C(3)H(7)NO, the C-S-N-C torsion angle of -64.55?(17)° defines the folded conformation of the mol-ecule. The dihedral angle between the benzene rings is 83.367?(6)°. In a crystal, mol-ecules are linked into a chain along a axis through inter-molecular N-H?O and O-H?O hydrogen bonds. There is also an intra-molecular C-H?? inter-action.

SUBMITTER: Huang ML

PROVIDER: S-EPMC3089350 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-(4-Methylbenzenesulfonamido)benzoic acid N,N-dimethyl-formamide mono-solvate.

Huang Miao-Ling ML Lin Zhi-Yang ZY

Acta crystallographica. Section E, Structure reports online 20110407 Pt 5

In the title compound, C(14)H(13)NO(4)S·C(3)H(7)NO, the C-S-N-C torsion angle of -64.55 (17)° defines the folded conformation of the mol-ecule. The dihedral angle between the benzene rings is 83.367 (6)°. In a crystal, mol-ecules are linked into a chain along a axis through inter-molecular N-H⋯O and O-H⋯O hydrogen bonds. There is also an intra-molecular C-H⋯π inter-action. ...[more]

PMID: 21754388

Similar Datasets

Acetoguanamine N,N-dimethyl-formamide solvate.

Project description:The structure of acetoguanamine (or 2,4-diamino-6-methyl-1,3,5-triazine) has been determined as the N,N-dimethyl-formamide solvate, C(4)H(7)N(5)·C(3)H(7)NO. The mol-ecular components are associated in the crystal structure to form ribbons stabilized by three N-H?N and one N-H?O hydrogen bonds which involve NH groups as donors and the N atoms of the heterocyclic ring and the carbonyl O atom of the solvent as acceptors.

| S-EPMC2960528 | biostudies-literature

2-(4-Dimethyl-amino-2-hydroxy-benzoyl)benzoic acid methanol solvate.

Project description:In the title compound, C(16)H(15)NO(4)·CH(4)O, the dihedral angle between the benzene rings is 75.21 (5)°. The structure is stabilized by an intra-molecular O-H⋯O inter-action [O⋯O = 2.589 (2) Å]. The solvent mol-ecule links symmetry-related mol-ecules of the complex via hydrogen bonds with O⋯O separations of 2.631 (2) and 2.815 (2) Å. C-H⋯O hydrogen bonds are also present.

| S-EPMC2959920 | biostudies-literature

2,2'-(Biphenyl-4,4'-diyldi-oxy)diacetic acid N,N-dimethyl-formamide solvate.

Project description:In the crystal struture of the title compound, C(16)H(14)O(6)·C(3)H(7)NO, the two crystallographically independent benzene rings are coplanar [dihedral angle = 1.00?(2)°]. The crystal structure is stabilized by O-H?O hydrogen bonds between the diacid and the solvate dimethylformamide mol-ecule, resulting in the formation of a zigzag chain structure extending parallel to [001].

| S-EPMC2977266 | biostudies-literature

Bis(benzoato-?O,O')(1,10-phenanthroline-?N,N')lead(II) benzoic acid mono-solvate.

Project description:The reaction of lead acetate, benzoic acid and 1,10-phenanthroline (phen) in aqueous solution yielded the title complex, [Pb(C(7)H(5)O(2))(2)(C(12)H(8)N(2))]·C(7)H(6)O(2). In the crystal, the Pb(II) ion is hexa-coordinated by two N atoms from one 1,10-phenanthroline ligand and four O atoms from two chelate benzoate anions. If the second benzoate ligand is treated as one coordination site, the overall coordination may be represented as a distorted pseudo-square pyramid. An inter-molecular O-H?O hydrogen bond links the solvent benzoic acid mol-ecule with a metal-coordinated benzoate ligand. The shortest Pb?Pb distance is 3.864?(4)?Å, indicating a weak metal-metal inter-action. Two complex mol-ecules related by an inversion centre form dimeric units via Pb?O inter-actions of 3.206?(4)?Å.

| S-EPMC3011696 | biostudies-literature

2,2'-(Quinoxaline-2,3-di-yl)diphenol dimethyl-formamide solvate.

Project description:In the title compound, C(20)H(14)N(2)O(2)·C(3)H(7)NO, the quinoxaline ring forms dihedral angles of 64.9 (2) and 30.9 (2)° with the two substituted benzene rings, which are themselves inclined at 58.4 (2)°. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, mol-ecules are linked through inter-molecular O-H⋯O hydrogen bonds.

| S-EPMC2979914 | biostudies-literature

1-(1H-Benzimidazol-2-yl)-4-nitro-benzene dimethyl-formamide solvate.

Project description:In the title compound, C(13)H(9)N(3)O(2)·C(3)H(7)NO, the benzimidazole ring system and the benzene ring are essentially coplanar, forming a dihedral angle of 0.86?(5)°. The crystal packing is stabilized by an inter-molecular N-H?O hydrogen bond and a ?-? stacking inter-action with a centroid-centroid separation of 3.685?(4)?Å.

| S-EPMC2968547 | biostudies-literature

catena-Poly[[[aqua-chlorido-manganese(II)]-bis-[?-1,1'-(oxydi-p-phenyl-ene)di-1H-imidazole-?N:N]] chloride dimethyl-formamide mono-solvate monohydrate].

Project description:The title coordination polymer, {[MnCl(C(18)H(14)N(4)O)(2)(H(2)O)]Cl·C(3)H(7)NO·H(2)O}(n), obtained by the solvothermal reaction of BIDPE and manganese(II) salt in H(2)O/DMF (DMF is dimethyl-formamide), is composed of a chain of [Mn(2)(BIDPE)(2)] [BIDPE is 1,1'-(oxydi-p-phenyl-ene)di-1H-imidazole] metallocyclic rings that exhibit inversion symmetry. The coordination about the Mn(II) ions is distorted octahedral with a MnClN(4)O coordination set. In the crystal, the polymeric chains are linked by O-H?Cl hydrogen bonds, forming a two-dimensional network parallel to (100). A number of C-H?Cl and C-H?O inter-actions are also present.

| S-EPMC3051568 | biostudies-literature

Tetra-kis(8-quinolinolato-?N,O)hafnium(IV) dimethyl-formamide solvate monohydrate.

Project description:In the title compound, [Hf(C(9)H(6)NO)]·C(3)H(7)NO·H(2)O, the hafnium(IV) atom is coordinated by four 8-quinolinolate (Ox) ligands, forming a slightly distorted square-anti-prismatic coordination polyhedron. The crystal packing is controlled by O-H?O and C-H?O hydrogen-bonding inter-actions and ?-? inter-actions between quinoline ligands of neighbouring mol-ecules. The inter-planar distances vary between 3.150?(1) and 3.251?(2)?Å, while centroid-centroid distances vary from 3.589?(1) to 4.1531?(1)?Å.

| S-EPMC2979151 | biostudies-literature

Dibromido[1,1'-dibenzyl-2,2'-(sulfane-diyl-dimethyl-ene)di-1H-benzimidazole]-cadmium(II) dimethyl-formamide solvate.

Project description:In the title compound, [CdBr(2)(C(30)H(26)N(4)S)]·C(3)H(7)NO, both the complex and solvent mol-ecule lie on a crystallographic mirror plane. The Cd(II) ion is coordinated in a disorted square-pyramidal CdBr(2)N(2)S environment with one of the Br atoms in the apical site. In the crystal structure, the benzimidazole ring systems are involved in weak inter-molecular ?-? stacking inter-actions [centroid-centroid distances = 3.606?(2) and 3.753?(2)?Å]. Further stabilization is provided by weak inter-molecular C-H?O hydrogen bonds. The methyl H atoms of the dimethyl-formamide solvent mol-ecule are disordered about a mirror plane.

| S-EPMC3007206 | biostudies-literature

Di-?-chlorido-bis-[(2,2'-bipyridine-5,5'-dicarb-oxy-lic acid-?(2)N,N')chloridocopper(II)] dimethyl-formamide tetra-solvate.

Project description:In the title compound, [Cu(2)Cl(4)(C(12)H(8)N(2)O(4))(2)]·4C(3)H(7)NO, which contains a chloride-bridged centrosymmetric Cu(II) dimer, the Cu(II) atom is in a distorted square-pyramidal 4 + 1 coordination geometry defined by the N atoms of the chelating 2,2'-bipyridine ligand, a terminal chloride and two bridging chloride ligands. Of the two independent dimethyl-formamide mol-ecules, one is hydrogen bonded to a single -COOH group, while one links two adjacent -COOH groups via a strong accepted O-H?O and a weak donated C(O)-H?O hydrogen bond. Two of these last mol-ecules and the two -COOH groups form a centrosymmetric hydrogen-bonded ring in which the CH=O and the -COOH groups by disorder adopt two alternate orientations in a 0.44:0.56 ratio. These hydrogen bonds link the Cu(II) complex mol-ecules and the dimethyl-formamide solvent mol-ecules into infinite chains along [-111]. Slipped ?-? stacking inter-actions between two centrosymmetric pyridine rings (centroid-centroid distance = 3.63?Å) contribute to the coherence of the structure along [0-11].

| S-EPMC3569178 | 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