Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-{3-[Bis(2-hydroxy-ethyl)amino-meth-yl]-5-nitro-phen-yl}benzamide.

ABSTRACT: The title compound, C(18)H(21)N(3)O(5), was prepared by the reaction of 3-benzamido-5-nitro-benzyl methane-sulfonate with diethano-lamine and is an inter-mediate in the synthesis of DNA minor-groove-binding polybenzamide agents capable of being conjugated to additional biologically active species. The asymmetric unit contains two independent mol-ecules, which differ only in the orientations of the hydroxy-ethyl groups. In the crystal structure, inter-molecular N-H?O and O-H?O hydrogen bonds link mol-ecules into one-dimensional chains.

SUBMITTER: Mai A

PROVIDER: S-EPMC2961623 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-{3-[Bis(2-hydroxy-ethyl)amino-meth-yl]-5-nitro-phen-yl}benzamide.

Mai Anna A Khan Gul S GS Clark George R GR Barker David D

Acta crystallographica. Section E, Structure reports online 20080503 Pt 6

The title compound, C(18)H(21)N(3)O(5), was prepared by the reaction of 3-benzamido-5-nitro-benzyl methane-sulfonate with diethano-lamine and is an inter-mediate in the synthesis of DNA minor-groove-binding polybenzamide agents capable of being conjugated to additional biologically active species. The asymmetric unit contains two independent mol-ecules, which differ only in the orientations of the hydroxy-ethyl groups. In the crystal structure, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link ...[more]

PMID: 21202707

Similar Datasets

Bis[4-(2-hydroxy-ethyl-amino)phen-yl] sulfone.

Project description:The title compound, C(16)H(20)N(2)O(4)S, exhibits a V-shape structure with a dihedral angle of 77.5?(11)° formed by the two benzenel rings. The mol-ecular packing is stabilized by intra-molecular and inter-molecular hydrogen bonds as well as ?-? [3.738?(3)?Å] and C-H?? inter-actions.

| S-EPMC2915238 | biostudies-literature

4-Meth-oxy-N-(4-meth-oxy-2-nitro-phen-yl)benzamide.

Project description:In the title compound, C(15)H(14)N(2)O(5), the central amide C-C(=O)-N-C unit forms dihedral angles of 28.17?(13) and 26.47?(13)° with the two benzene rings, whereas the two benzene rings are almost coplanar, making a dihedral angle of 4.52?(13)°. The two meth-oxy and the nitro substituents are almost coplanar with their attached benzene rings, with C-O-C-C torsion angles of -1.3?(4) and -4.6?(4)°, and an O-N-C-C torsion angle of 17.1?(3)°. In the crystal, mol-ecules are linked via C-H?O and N-H?O inter-actions, forming a tape running along the b axis.

| S-EPMC3470382 | biostudies-literature

{2-[(Dimethyl-amino)-meth-yl]phen-yl}bis-(4-methyl-phen-yl)bis-muthane.

Project description:The title compound, [Bi(C(7)H(7))(2)(C(9)H(12)N)], was obtained by treating chlorodi(p-tol-yl)bis-muthane with o-lithio-N,N-dimethyl-benzyl-amine. An intra-molecular Bi?N nonbonding inter-action is observed in the distorted trigonal triaryl-bis-muth coordination of the title compound.

| S-EPMC3050329 | biostudies-literature

2-[1-({2-[1-(2-Hy-droxy-5-{[meth-yl(phen-yl)amino]-meth-yl}phen-yl)ethyl-idene-amino]-eth-yl}imino)-eth-yl]-4-{[meth-yl(phen-yl)amino]-meth-yl}phenol.

Project description:Mol-ecules of the title compound, C(34)H(38)N(4)O(2), lie across crystallographic inversion centres. The crystal packing can be described by alternating zigzag chains along the c axis in which the molecules are linked by van der Waals interactions. There is an intra-molecular O-H⋯N hydrogen bond and the two benzene rings in the asymmetric unit make a dihedral angle of 79.81 (6)°.

| S-EPMC3344659 | biostudies-literature

Bis[μ-4-amino-3,5-bis-(hydroxy-meth-yl)-1,2,4-triazole]bis{bis-[4-amino-3,5-bis-(hydroxy-meth-yl)-1,2,4-triazole]nickel(II)} tetra-nitrate methanol disolvate.

Project description:The title complex, [Ni(2)(C(4)H(8)N(4)O(2))(6)](NO(3))(4)·2CH(4)O, contains a centrosymmetric binuclear nickel(II) complex bridged by a pair of 4-amino-3,5-bis-(hydroxy-meth-yl)-1,2,4-triazole ligands. The separation between the Ni(II) atoms is 3.962 (1) Å. The Ni atoms are in a slightly distorted octa-hedral coordination. Inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds connect the ligands, solvent mol-ecules and nitrate ions.

| S-EPMC2914969 | biostudies-literature

4-Nitro-N-(3-nitro-phen-yl)benzamide.

Project description:The title compound, C(13)H(9)N(3)O(5), prepared as a solid derivative of 3-nitro-analine via reaction with 4-nitro-benzoyl chloride, crystallizes in a chiral space group. The mol-ecule is non-planar with a dihedral angle of 26.1?(1)° between the two benzene rings. Both nitro groups are twisted slightly out of the plane of their corresponding benzene rings, making dihedral angles of 10.7?(4) and 13.5?(4)°. The mol-ecules are stacked along the a axis with benzene ring centroid-centroid distances of 3.8878?(6)?Å. In the crystal, inter-molecular benzene C-H?O inter-actions involving one nitro group and the carbonyl group link the mol-ecules, forming chains along [001]. An additional set of aromatic C-H?O inter-actions with the second nitro group form chains along [101], connecting adjacent chains to create layers perpendicular to the b axis.

| S-EPMC3201324 | biostudies-literature

N-(2-Nitro-phen-yl)benzamide.

Project description:In the title compound, C(13)H(10)N(2)O(3), the central C-C(=O)-N-C amide unit makes dihedral angles of 21.68?(4) and 19.08?(4)°, respectively, with the phenyl and nitro-benzene rings. The two aromatic rings are inclined at 3.74?(3)° and the nitro group is skewed out of the attached benzene ring plane by 18.55?(8)°. An intra-molecular N-H?O inter-action to an O atom of the nitro substituent generates an S(6) ring motif. In the crystal, C-H?O contacts generate two centrosymmetric ring systems with R(2) (2)(14) and R(2) (2)(20) graph-set motifs, forming zigzag chains down the a axis. ?-? inter-actions between adjacent phenyl and nitro-benzene rings [centroid-centroid distance = 3.6849?(6)?Å] also form centrosymmetric dimers. These and an additional C-H?O hydrogen bond generate an extensive three-dimensional network structure.

| S-EPMC2977104 | biostudies-literature

N-[Morpholino(phen-yl)meth-yl]benzamide.

Project description:The title compound, C(18)H(20)N(2)O(2), crystallizes with two mol-ecules in the asymmetric unit. The morpholine rings of both mol-ecules adopt chair conformations. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds. One phenyl ring is disordered over two orientations in a 0.665?(5):0.335?(5) ratio.

| S-EPMC2968586 | biostudies-literature

Bis{4-[(2-hy-droxy-5-meth-oxy-3-nitro-benzyl-idene)amino]-phen-yl} ether.

Project description:The mol-ecule of the title compound, C28H22N4O9, exhibits crystallographically imposed twofold rotational symmetry, with a dihedral angle of 66.0 (2)° between the planes of the two central benzene rings bounded to the central oxygen atom. The dihedral angle between the planes of the central benzene ring and the terminal phenol ring is 4.9 (2)°. Each half of the mol-ecule exhibits an imine E configuration. An intra-molecular O-H⋯N hydrogen bond is present. In the crystal, the mol-ecules are linked into layers parallel to the ab plane via C-H⋯O hydrogen bonds. The crystal studied was refined as a two-component pseudomerohedral twin.

| S-EPMC6944087 | biostudies-literature

Bis[4-(2-hydroxy-benzyl-amino)phen-yl] ether.

Project description:The title compound, C(26)H(24)N(2)O(3), was synthesized by reduction of the corresponding Schiff base. The mol-ecule does not possess crystallographic or non-crystallographic symmetry. The dihedral angle between the oxygen-bridged benzene rings is 67.98 (8)°. Both hydroxyl groups are involved in O-H⋯O intra-molecular hydrogen bonding. The mol-ecules are linked into a two-dimensional network parallel to the (010) plane by N-H⋯O hydrogen bonds.

| S-EPMC2960403 | 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