Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(7-Methyl-3-oxo-1-phenyl-perhydro-naphthalen-4a-yl)malononitrile.

ABSTRACT: In the title compound, C(20)H(22)N(2)O, both cyclo-hexane rings adopt chair conformations. Weak C-H?N and C-H?O hydrogen bonding is present in the crystal structure.

SUBMITTER: Kang TR

PROVIDER: S-EPMC2972109 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-(7-Methyl-3-oxo-1-phenyl-perhydro-naphthalen-4a-yl)malononitrile.

Kang Tai-Ran TR Chen Lian-Mei LM

Acta crystallographica. Section E, Structure reports online 20091111 Pt 12

In the title compound, C(20)H(22)N(2)O, both cyclo-hexane rings adopt chair conformations. Weak C-H⋯N and C-H⋯O hydrogen bonding is present in the crystal structure. ...[more]

PMID: 21578795

Similar Datasets

2-(4-Oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene)malononitrile.

Project description:In the title compound, C12H7N3OS, the essentially planar thia-zole ring (r.m.s. deviation = 0.022?Å) forms dihedral angles of 84.88?(9) and 1.8?(3)° with the phenyl ring and the -C(CN)2 group (r.m.s. deviation = 0.003?Å), respectively. The mol-ecule has approximate local Cs symmetry. In the crystal, molecules are linked via C-H?N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63?(1):0.37?(1) domain ratio.

| S-EPMC3588553 | biostudies-literature

Methyl 2-(4a,8-Dimethyl-7-oxodeca-hydro-naphthalen-2-yl)acrylate.

Project description:The title compound, C(16)H(24)O(3), was isolated from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The mol-ecule contains two fused (trans) six-membered rings which both exibit a chair conformation. In the crystal, mol-ecules are linked into chains along [100] by weak C-H?O hydrogen bonds involving the methyl and carbonyl groups.

| S-EPMC3414316 | biostudies-literature

2-{(1S,2S,4aR,8R,8aR)-8-Hy-droxy-4a,8-dimethyl-1-[(2E)-2-methyl-but-2-eno-yl-oxy]perhydro-naphthalen-2-yl}acrylic acid from Sclerorhachis platyrachis.

Project description:The eudesmane-type terpenoid, C(20)H(30)O(5), isolated from Sclerorhachis platyrachis, has a deca-lin skeleton whose six-membered rings adopt chair conformations. The two methyl substituents occupy axial positions, whereas the other three substituents occupy equatorial positions. The hy-droxy group is an intra-molecular hydrogen-bond donor to the single-bond ester O atom; adjacent mol-ecules are linked through the carb-oxy-lic acid interacting with the hydroxyl group, forming a hydrogen-bonded chain running along the c axis.

| S-EPMC3201322 | biostudies-literature

2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro-phen-yl)meth-yl]malononitrile.

Project description:In the crystal structure of the title compound, C(20)H(16)ClN(5), the dihedral angle between the pyrazole ring and the phenyl ring is 54.7 (1)° and that between the pyrazole ring and the chloro-substituted phenyl ring is 72.4 (1)°. The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3. One amino H is disordered equally over two positions. In the crystal structure, the mol-ecules are linked via inter-molecular N-H⋯N hydrogen bonding.

| S-EPMC2961285 | biostudies-literature

2-Methyl-3-(5-methyl-2-thien-yl)-5-phenyl-perhydro-pyrrolo[3,4-d]isoxazole-4,6-dione.

Project description:In the mol-ecule of the title compound, C(17)H(16)N(2)O(3)S, the phenyl ring is oriented with respect to the thio-phene and succinimide rings at dihedral angles of 88.08?(3) and 57.81?(3)°, respectively; the dihedral angle between the thio-phene and succinimide rings is 35.69?(3)°. The isoxazole ring adopts an envelope conformation with the N atom at the flap position. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules into infinite chains along the b axis. Weak C-H?? inter-actions may further stabilize the structure.

| S-EPMC2968779 | biostudies-literature

1-[(4-{[(2-Oxo-1,2-dihydro-naphthalen-1-yl-idene)meth-yl]amino}-anilino)methyl-idene]naphthalen-2(1H)-one dihydrate.

Project description:The title compound, C(28)H(20)N(2)O(2)·2H(2)O, comprises a Schiff base mol-ecule with an imposed inversion centre in the middle of p-phenyl-enediamine unit and water mol-ecules of crystallization. In the structure, the Schiff base mol-ecule is present as the keto-amino tautomer with a strong intra-molecular N-H?O hydrogen bond. The Schiff base mol-ecules and water mol-ecules of crystallization create infinite [010] columns through O-H?O hydrogen bonds. Inter-molecular attractions within columns are through additional ?-? inter-actions [centroid-centroid distance = 3.352?(1)?Å] between parallel Schiff base mol-ecules. The columns are joined into infinite (011) layers through weak C-H?O hydrogen bonds. The layers pack in an assembly by van der Waals attractions, only being effective between bordering non-polar naphthalene ring systems.

| S-EPMC3247366 | biostudies-literature

(4aS,5R,7R,8S,8aR)-8-(1,3-Dioxolan-2-yl)-7,8-dimethyl-5-(1-methyl-ethen-yl)perhydro-naphthalen-2-one.

Project description:In the chiral title compound, C(18)H(28)O(3), the two six-membered rings of the perhydronaphthalenone adopt a rigid chair-chair conformation and the five-membered dioxolanyl ring adopts an envelope conformation. The crystal structure is stabilized only by weak inter-actions.

| S-EPMC2915378 | biostudies-literature

rac-2-[2-(4-Fluoro-phen-yl)-2-oxo-1-phenyl-eth-yl]-4-methyl-3-oxo-N-phenyl-penta-namide.

Project description:The title compound, C(26)H(24)FNO(3), is a critical inter-mediate of a selective and competitive inhibitor of the enzyme 3-hy-droxy-3-methyl-glutaryl-coenzyme A (HMG-CoA) reductase. Inter-molecular N-H?O hydrogen bonding generates a chain along [give direction] that is the dominant inter-action in the crystal packing. Inter-molecular C-H?O inter-actions are also observed.

| S-EPMC3011484 | biostudies-literature

Methyl 2-(8a-hy-droxy-4a-methyl-8-methyl-enedeca-hydro-naphthalen-2-yl)acrylate.

Project description:The title compound, C(16)H(24)O(3), was synthesized from ilicic acid which was isolated from the aerial part of Inula Viscosa- (L) Aiton [or Dittrichia Viscosa- (L) Greuter]. The mol-ecule contains two fused six-membered rings both in chair conformations. In the crystal, mol-ecules are linked into chains running parallel to the a axis by O-H?O hydrogen bonds.

| S-EPMC3254506 | biostudies-other

Methyl 2-((2Z,5Z)-4-oxo-3-phenyl-2-{2-[(1E)-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-yl-idene}-1,3-thia-zolidin-5-yl-idene)acetate.

Project description:In the title compound, C22H19N3O3S, the six-membered ring of the 1,2,3,4-tetra-hydro-naphthalene ring system adopts an envelope conformation with the central CH2 C atom as the flap. The mol-ecular conformation is stabilized by an S⋯O contact, forming a pseudo-five-membered ring. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds into chains propagating along [102].

| S-EPMC3998598 | 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