Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-Phenyl-cyclo-hexa-necarboxamide.

ABSTRACT: In the title compound, C(13)H(17)NO, the cyclo-hexane ring adopts a chair conformation and the amide C(=O)-N moiety is almost coplanar with the phenyl ring [C-N-C-O = 4.1?(2)°]. In the crystal, mol-ecules are linked to form a C(4) infinite [001] chain via N-H?O hydrogen bonds, unlike the cyclic motif seen in related structures.

SUBMITTER: Dong B

PROVIDER: S-EPMC3009346 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-Phenyl-cyclo-hexa-necarboxamide.

Dong Bin B Zhang Yu Y Wang Dong-Yu DY

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

In the title compound, C(13)H(17)NO, the cyclo-hexane ring adopts a chair conformation and the amide C(=O)-N moiety is almost coplanar with the phenyl ring [C-N-C-O = 4.1 (2)°]. In the crystal, mol-ecules are linked to form a C(4) infinite [001] chain via N-H⋯O hydrogen bonds, unlike the cyclic motif seen in related structures. ...[more]

PMID: 21588965

Similar Datasets

Cyclo-hexa-none 2-nitro-phenyl-hydrazone.

Project description:In the title Schiff base compound, C(12)H(15)N(3)O(2), obtained from a condensation reaction of cyclo-hexa-none and 2-nitro-phenyl-hydrazine, the phenyl-hydrazone group is planar, the largest deviation from the mean plane being 0.0252?(12)?Å, and the nitro fragment is twisted slightly with respect to the mean plane, making a dihedral angle of 6.96?(17)°. The cyclo-heaxanone ring displays a chair conformation. An intra-molecular N-H?O hydrogen bond helps to stabilize the mol-ecular structure.

| S-EPMC2979490 | biostudies-literature

cyclo-Hexa-μ(2)-diphenyl-acetato-κO:O'-hexa-μ(3)-oxido-hexa-kis[phenyl-tin(IV)].

Project description:In the cyclo-hexa-meric centrosymmetric title compound, [Sn(6)(C(6)H(5))(6)(C(14)H(11)O(2))(6)O(6)], each bridging oxide O atom is connected to three Sn atoms and each carboxyl-ate group bridges a pair of Sn atoms so that the three independent Sn atoms all adopt SnCO(5) distorted octa-hedral geometries, resulting in a drum-shaped Sn(6)O(6) core.

| S-EPMC2960123 | biostudies-literature

(±)-2'-Phenyl-cyclo-hexa-nespiro-4'-(aze-pano[1,2-b]isoxazolidine).

Project description:In the crystal structure of the racemic title isoxazolidine, C(19)H(27)NO, the relative stereochemistry between the phenyl group and the bridgehead H atom is shown to be syn. There are two mol-ecules in the asymmetric unit, one of which is the 7R*,13R* enanti-omer, and one of which is the 7S*,13S* enanti-omer. These enanti-omers adopt different orientations of the phenyl ring with respect to the isoxazolidine ring, with C-C-C-C torsion angles of 63.6?(4) and 86.8?(4)°, respectively. In both enanti-omers, the six-membered ring adopts a chair conformation, while the seven-membered ring adopts a twist-chair conformation.

| S-EPMC2962160 | biostudies-literature

trans-2-(2-Nitro-1-phenyl-eth-yl)cyclo-hexa-none.

Project description:In the title compound, C(14)H(17)NO(3), the plane of the phenyl ring and the least-squares plane of the cyclo-hexyl moiety enclose an angle of 89.14?(6)°. The cyclohexyl ring adopts a chair conformation. In the crystal, the molecules are linked by weak C-H?O bonds, with each of the nitro-O atoms accepting two such interactions.

| S-EPMC3011465 | biostudies-literature

trans-4-[(Phenyl-sulfon-yloxy)meth-yl]cyclo-hexa-necarboxylic acid.

Project description:The title compound, C(14)H(18)O(5)S, is an important inter-mediate for the synthesis of poly(amido-amine) dendrimers. The cyclo-hexane ring adopts a chair conformation with its two substituents in equatorial positions. In the crystal structure, mol-ecules form centrosymmetric dimers via O-H?O hydrogen bonds.

| S-EPMC2960730 | biostudies-literature

trans-4-Nitro-phenyl 4-(tosyl-oxymeth-yl)cyclo-hexa-necarboxyl-ate.

Project description:The title compound, C(21)H(23)NO(7)S, is an important inter-mediate in the synthesis of poly(amido-amine) dendrimers. The cyclo-hexane ring adopts a chair conformation. The dihedral angle between the two aromatic rings is 69.5 (2)°. The mol-ecules are linked into a zigzag chain along the b axis by C-H⋯O hydrogen bonds.

| S-EPMC2960325 | biostudies-literature

3,3,4,4,5,5-Hexa-fluoro-1,2-bis[4-(phenyl-ethyn-yl)phen-yl]-cyclo-pentene.

Project description:The title compound, C(33)H(18)F(6), has a V-shaped conjugated subunit. The dihedral angles between the central cyclo-pentene ring and the directly attached benzene rings are 32.7?(2) and 53.7?(2)°, respectively. The fluoro substituents are disordered, the occupancies refined to a 0.675?(2):0.325?(2) ratio.

| S-EPMC2980200 | biostudies-literature

Ethyl 1,3,10,12-tetra-phenyl-19,20-dioxa-hexa-cyclo-[10.6.1.1.0.0.0]icosa-4(9),5,7,13(18),14,16-hexa-ene-2-carboxyl-ate.

Project description:The title compound, C(45)H(34)O(4), is the product of a tandem 'pincer' Diels-Alder reaction consisting of two consecutive [4 + 2] cyclo-additions between two 2-benzofuran units and ethyl propiolate. The mol-ecule comprises a fused hexa-cyclic system containing four five-membered rings, which are in the usual envelope conformation, and two six-membered rings. In addition, four phenyl rings are attached to the hexa-cyclic system. The packing is stabilized by C-H?? inter-actions.

| S-EPMC3011453 | biostudies-literature

N-Cyclo-hexyl-cyclo-hexa-naminium chloride.

Project description:In the title salt, C(12)H(24)N(+)·Cl(-), both cyclo-hexyl rings adopt chair conformations and the NH(2) unit is situated in the equatorial position with respect to the rings in the cation. The large C-N-C bond angle [117.99 (14)°] in the cation is a result of linking two bulky cyclo-hexyl rings to the N atom. The aminium H atoms are involved in inter-molecular N-H⋯Cl hydrogen bonds, forming an infinite zigzag chain parallel to the c axis. The crystal studied was a racemic twin with a twin fraction of 0.28 (18).

| S-EPMC3051479 | biostudies-literature

(Z)-6-[(5-Chloro-2-hydroxy-phenyl)-aminomethyl-ene]-2-ethoxy-cyclo-hexa-2,4-dienone.

Project description:The title compound, C(15)H(14)ClNO(3), exists as the keto-amine form in the crystal and two intra-molecular N-H?O hydrogen bonds are observed. The aromatic rings are oriented at a dihedral angle of 5.85?(8)°. In the crystal structure, inter-molecular O-H?O and C-H?O hydrogen bonds link the mol-ecules into chains. A ?-? contact between the benzene rings [centroid-centroid distance = 3.6623?(10)?Å] further stabilizes the structure.

| S-EPMC2970131 | 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