Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(2-Hydroxy-ethyl)-N-(tricyclo-[3.3.1.1]dec-2-yl)benzamide.

ABSTRACT: The title adamantane derivative, C(19)H(25)NO(2), was synthesized as part of a study into potential anti-tuberculosis agents. The adamantane skeleton displays shorter than normal C-C bond lengths ranging between 1.5230?(15) and 1.5329?(16)?Å. The structure displays O-H?O hydrogen bonding and an inter-digitated layered packing structure with distinct hydro-philic and hydro-phobic regions.

SUBMITTER: Boyle GA

PROVIDER: S-EPMC2961498 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(2-Hydroxy-ethyl)-N-(tricyclo-[3.3.1.1]dec-2-yl)benzamide.

Boyle Grant A GA Govender Thavendran T Kruger Hendrik G HG Onajole Oluseye K OK

Acta crystallographica. Section E, Structure reports online 20080510 Pt 6

The title adamantane derivative, C(19)H(25)NO(2), was synthesized as part of a study into potential anti-tuberculosis agents. The adamantane skeleton displays shorter than normal C-C bond lengths ranging between 1.5230 (15) and 1.5329 (16) Å. The structure displays O-H⋯O hydrogen bonding and an inter-digitated layered packing structure with distinct hydro-philic and hydro-phobic regions. ...[more]

PMID: 21202553

Similar Datasets

2-(Tricyclo[3.3.1.1]dec-2-ylamino)ethanol hemihydrate.

Project description:The title adamantane derivative, C(12)H(21)NO·0.5H(2)O, was synthesized as part of an investigation into the biological activities of cage amino-alcohol compounds as potential anti-tuberculosis agents. The structure displays inter-molecular O-H?N, N-H?O, O-H?O hydrogen bonding and a layered packing structure with distinct hydro-philic and hydro-phobic regions. The water molecule lies on a twofold rotation axis.

| S-EPMC2961807 | biostudies-other

N-(2-Hydroxy-ethyl)-2-[3-(p-tol-yl)triazen-1-yl]benzamide.

Project description:In the solid state, the structure of the title compound, C(16)H(18)N(4)O(2), is stabilized by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds. These hydrogen bonds arrange the mol-ecules into a double-layer supra-molecular structure. The mol-ecular conformation is is consolidated by an intra-molecular N-H⋯N hydrogen bond. The dihedral angle between the aromatic rings is 8.01 (10)°

| S-EPMC2977684 | biostudies-literature

4-Nitro-2-{[(tricyclo-[3.3.1.1(3,7)]decan-1-yl)iminium-yl]meth-yl}phenolate.

Project description:The title compound, C(17)H(20)N(2)O(3), is a Schiff base, which is found as a zwitterion in the solid state. The geometry around the iminium N atom indicates sp(2)-hybridization. The zwitterion shows a strong intra-molecular N-H?O hydrogen-bond inter-action between the iminium N atom and the phenolate O atom.

| S-EPMC3344155 | biostudies-literature

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

Project description: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.

| S-EPMC2961623 | biostudies-literature

N-(2-Hydroxy-ethyl)-3,5-dinitro-benzamide.

Project description:The title compound, C(9)H(9)N(3)O(6), was synthesized by the condensation of methyl 3,5-dinitro-benzoate and 2-amino-ethanol. The non-centrosymmetric space group results in the formation of pseudo-chiral helices in the crystal structure, which exhibits a layer packing structure involving intra-molecular N-H⋯O and O-H⋯O inter-actions.

| S-EPMC2962056 | biostudies-literature

4,8,9,10-Tetra-kis(4-fluoro-phen-yl)-1,3-diaza-tricyclo-[3.3.1.1]decan-6-one.

Project description:In the title compound, C(32)H(24)F(4)N(2)O, all four six-membered rings that constitute the diaza-adamantanone cage adopt chair conformations. Two of the four fluoro-phenyl substituents occupy axial positions and the other two occupy equatorial positions relative to their respective C(5)N rings of the adamantane framework. The crystal structure is stabilized by C-H?O inter-actions, generating a C(5) chain along the a axis.

| S-EPMC2969218 | biostudies-literature

A new polymorph of N-(prop-2-yn-yl)tricyclo-[3.3.1.1]decane-1-carbox-amide.

Project description:The alkynyl bond of the title compound, C(14)H(19)NO, has a length of 1.170 (5) Å. The amide function shows a trans conformation with respect to the carbonyl group characterized by the torsion angle O-C-N-H of -176 (2)°. There is an inter-molecular N-H⋯O hydrogen bond between the amide function and the carbonyl group. In addition, weak inter-molecular hydrogen bonds stabilize the crystal structure. A comparison with a polymorphic structure shows conformational differences with regard to the orientation of the carbonyl groups with respect to the adamantyl group [O-C-C-C = 96.2 (3)° in the title compound and 123.7 (2)° in the polymorph] and the orientations of the propargyl groups in relation to the carbonyl groups [O-C-C-C = -87.7 (3) and -58.7 (2)°, respectively].

| S-EPMC2962125 | biostudies-literature

(3aRS,4SR,7RS,7aSR)-2-(Tricyclo-[3.3.1.1]decan-1-yl)-4,5,6,7-tetra-hydro-4,7-epoxy-isoindoline-1,3-dione.

Project description:The title compound, C(18)H(23)NO(3), the adamantane derivative of norcantharidin, which is itself derived from cantharidin, crystallized with three independent mol-ecules in the asymmetric unit. In the crystal, mol-ecules are linked by inter-molecular C-H?O inter-actions, leading to the formation of a supra-molecular two-dimensional network.

| S-EPMC2979399 | biostudies-literature

1,7,8,9,10,10-Hexachloro-4-(2-phenyl-eth-yl)-4-aza-tricyclo-[5.2.1.0]dec-8-ene-3,5-dione.

Project description:In the title compound, C(17)H(11)Cl(6)NO(2), the six-membered ring of the norbornene moiety adopts a boat conformation whereas the two five-membered rings adopt envelope conformations. The phenyl ring and the ring of the succinimide moiety are almost coplanar [dihedral angle = 7.44 (14)°]. The crystal packing is stabilized by a weak inter-molecular C-H⋯O hydrogen bond.

| S-EPMC3151925 | biostudies-literature

4-(2-Amino-phen-yl)-10-oxa-4-aza-tricyclo-[5.2.1.0]dec-8-ene-3,5-dione.

Project description:In the title compound, C(14)H(12)N(2)O(3), the essentially planar pyrrole ring [maximum deviation = 0.037 (4) Å] and the benzene ring form a dihedral angle of 69.5 (2)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds connect mol-ecules into chains along [001]. Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3052145 | 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