Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

7-Chloro-3,3-dimethyl-9-phenyl-1,2,3,4-tetra-hydro-acridin-1-one.

ABSTRACT: In the title salt, C(21)H(18)ClNO, the quinoline ring system is approximately planar [maximum deviation = 0.035?(2)?Å], and forms a dihedral angle of 71.42?(6)° with the attached phenyl ring. The cyclo-hexa-none ring exists in a half-boat conformation. In the crystal packing, C-H?O contacts link the mol-ecules into extended supra-molecular chains along the c axis.

SUBMITTER: Loh WS

PROVIDER: S-EPMC2971845 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

7-Chloro-3,3-dimethyl-9-phenyl-1,2,3,4-tetra-hydro-acridin-1-one.

Loh Wan-Sin WS Fun Hoong-Kun HK Sarveswari S S Vijayakumar V V Reddy B Palakshi BP

Acta crystallographica. Section E, Structure reports online 20091128 Pt 12

In the title salt, C(21)H(18)ClNO, the quinoline ring system is approximately planar [maximum deviation = 0.035 (2) Å], and forms a dihedral angle of 71.42 (6)° with the attached phenyl ring. The cyclo-hexa-none ring exists in a half-boat conformation. In the crystal packing, C-H⋯O contacts link the mol-ecules into extended supra-molecular chains along the c axis. ...[more]

PMID: 21578941

Similar Datasets

3,3-Dimethyl-1,2,3,4-tetra-hydro-cyclo-penta-[b]indole-1,2-dione (bruceolline E).

Project description:The title compound, C(13)H(11)NO(2), crystallizes with two mol-ecules in the asymmetric unit. The crystal packing is stabilized by N-H?O hydrogen bonds, which link the mol-ecules into chains along [10[Formula: see text]], and weak C-H?O inter-actions.

| S-EPMC3275045 | biostudies-literature

4-Phenyl-1,2,3,4-tetra-hydro-pyrimido[1,2-a]benzimidazol-2-one.

Project description:In the title compound, C(16)H(13)N(3)O, the tetrahydropyrimidin-one ring adopts a sofa conformation. In the crystal structure, mol-ecules are linked by N-H?N hydrogen bonds and C-H?? inter-actions.

| S-EPMC2959681 | biostudies-literature

6-Methyl-3-phenyl-2-sulfanyl-idene-1,2,3,4-tetra-hydro-quinazolin-4-one.

Project description:The title compound, C(15)H(12)N(2)OS, exists as the thione tautomer in the solid state. The phenyl group is almost perpendicular [dihedral angle = 87.96 (5)°] to the fused ring system (r.m.s. deviation = 0.036 Å for 13 ring and exocyclic non-H atoms). In the crystal, centrosymmetric dimers, sustained by pairs of N-H⋯S hydrogen bonds, are connected into layers parallel to (-101) by C-H⋯O and C-H⋯S inter-actions.

| S-EPMC3297914 | biostudies-literature

(4R)-4-(Biphenyl-4-yl)-7-chloro-1,2,3,4-tetra-hydro-quinoline.

Project description:The title compound, C(21)H(18)ClN, was synthesized by an enanti-oselective Brønsted acid-catalysed transfer hydrogenation reaction. The six-membered heterocycle adopts a half-chair conformation. It has the biphenyl residue in an axial position. The two rings of the biphenyl residue are almost coplanar [dihedral angle = 2.65?(9)°]. The crystal packing is stabilized by N-H?Cl hydrogen bonds, which connect the mol-ecules into chains running along the a axis.

| S-EPMC3201410 | biostudies-literature

2-Methyl-1,2,3,4-tetra-hydro-isoquinolin-6-yl N-phenyl-carbamate.

Project description:In the mol-ecule of the title compound, C(17)H(18)N(2)O(2), the piperidine ring adopts a half-chair form. The two benzene rings are individually planar and make a dihedral angle of 53.90°. The crystal structure is stabilized by inter-molecular N-H?N hydrogen bonds and ?-? stacking inter-actions (centroid-centroid distance = 3.962?Å).

| S-EPMC2977739 | biostudies-literature

1-Chloro-acetyl-3,3-dimethyl-2,6-di-phenyl-piperidin-4-one.

Project description:In the mol-ecule of the title compound, C(21)H(22)ClNO(2), the piperidine ring adopts a distorted boat conformation. The two phenyl rings are nearly orthogonal to each other with a dihedral angle of 87.1?(1)°. In the crystal structure, the mol-ecules are linked into a three-dimensional network by C-H?O and C-H?? inter-actions.

| S-EPMC2959297 | biostudies-other

4-Chloro-N-methyl-2-(1,2,3,4-tetra-hydro-isoquinolin-1-yl)aniline.

Project description:The racemic title compound, C(16)H(17)ClN(2), shows a tetra-hydro-isoquinoline skeleton with a 4-chloro-N-methyl-aniline group linked to the C atom at position 1. The dihedral angle between the benzene rings is 85.82?(4)°. An intra-molecular N-H?N hydrogen bond occurs. In the crystal, mol-ecules are linked through inter-molecular C-H?? inter-actions.

| S-EPMC3011792 | biostudies-literature

Methyl (E)-2-[(3-chloro-4-cyano-phenyl)-imino]-4-(4-chloro-phen-yl)-6-methyl-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Project description:In the title compound, C(20)H(16)Cl(2)N(4)O(2), the dihedral angles between the planes of the chloro-phenyl, chloro-cyano-phenyl-imine and ester groups and the plane of the six-membered tetra-hydro-pyrimidine ring are 86.9?(2), 72.6?(2) and 7.9?(2)°, respectively. The Cl atom substituent on the cyano-phenyl ring is disordered over two rotationally related sites [occupancy factors 0.887?(2):0.113?(2)], while the mol-ecular conformation is stabilized by the presence of an intra-molecular aromatic C-H?? inter-action. Both N-H groups participate in separate inter-molecular hydrogen-bonding associations with centrosymmetric cyclic motifs [graph sets R(2) (2)(8) and R(2) (2)(12)], resulting in ribbons parallel to [010]. Further weak C-H?O hydrogen bonds link these ribbons into a two-dimensional mol-ecular assembly.

| S-EPMC3470343 | biostudies-literature

2-Amino-pyridinium 5-(5-chloro-2,4-dinitro-phen-yl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-6-olate.

Project description:In the title mol-ecular salt, C(5)H(7)N(2) (+)·C(12)H(8)ClN(4)O(7) (-), the dihedral angle between the aromatic rings of the anion is 51.88?(6)°. One of the nitro groups is disordered over two orientations in a 0.710?(6):0.290?(6) ratio. In the crystal, the cations and anions are linked by N-H?O hydrogen bonds, generating infinite ribbons extending along [100] which incorporate R(4) (4)(22) ring motifs. Weak C-H?O inter-actions also occur.

| S-EPMC3239101 | biostudies-literature

(S)-Benzyl 3-phenyl-carbamoyl-1,2,3,4-tetra-hydro-isoquinoline-2-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(24)H(22)N(2)O(3). The heterocyclic ring assumes a twisted boat conformation and N-H⋯O inter-actions help to construct the three-dimensional network within the crystal packing.

| S-EPMC3297931 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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