Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 1-[2-(1H-benzotriazol-1-yl)acet-yl]-4-hy-droxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

ABSTRACT: In the title compound, C(28)H(26)N(4)O(4), the tetra-hydro-pyridine ring adopts a boat conformation. The two phenyl rings form dihedral angles of 88.64?(8) and 59.28?(10)° with the best plane through the tetra-hydro-pyridine ring. The dihedral angle between the two phenyl rings is 82.55?(10)°. The benzotriazole ring system is essentially planar, with a maximum deviation of 0.009?(1)?Å from the least-squares plane. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond, generating an S(6) motif.

SUBMITTER: Aridoss G

PROVIDER: S-EPMC3151759 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Ethyl 1-[2-(1H-benzotriazol-1-yl)acet-yl]-4-hy-droxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Aridoss G G Sundaramoorthy S S Velmurugan D D Jeong Y T YT

Acta crystallographica. Section E, Structure reports online 20110604 Pt 7

In the title compound, C(28)H(26)N(4)O(4), the tetra-hydro-pyridine ring adopts a boat conformation. The two phenyl rings form dihedral angles of 88.64 (8) and 59.28 (10)° with the best plane through the tetra-hydro-pyridine ring. The dihedral angle between the two phenyl rings is 82.55 (10)°. The benzotriazole ring system is essentially planar, with a maximum deviation of 0.009 (1) Å from the least-squares plane. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen bon ...[more]

PMID: 21836985

Similar Datasets

Ethyl 4-hy-droxy-2,6-diphenyl-1-[2-(piperidin-1-yl)acet-yl]-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(27)H(32)N(2)O(4), the piperidine and tetra-hydro-pyridine rings adopt chair and half-chair conformations, respectively. The dihedral angle between the two phenyl rings is 32.9?(1)°. The mol-ecular structure is stabilized by a strong intra-molecular O-H?O hydrogen bond, generating an S(6) motif. In the crystal, inter-molecular C-H?O inter-actions form a ribbon-like structure along the a axis.

| S-EPMC3007457 | biostudies-literature

Ethyl 4-hy-droxy-2,6-diphenyl-1-(2-thio-morpholino-acet-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(26)H(30)N(2)O(4)S, the thio-morpholine ring adopts a chair conformation whereas the tetra-hydro-pyridine ring is in a half-chair conformation. The dihedral angle between the two phenyl rings is 33.3?(2)°. A strong intra-molecular O-H?O hydrogen bond generates an S(6) motif. In the crystal, mol-ecules are linked by inter-molecular C-H?O hydrogen bonds, generating a ribbon-like structure propagating along the a axis.

| S-EPMC3007352 | biostudies-literature

Ethyl 1-[2-(1,3-benzoxazol-2-ylsulfan-yl)acet-yl]-4-hy-droxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(29)H(26)N(2)O(5)S, the piperidine ring adopts a half-chair conformation. The phenyl rings are oriented at dihedral angles of 75.76 (12) and 86.64 (9)° with respect to the best plane through the piperidine ring. The dihedral angle between the two phenyl rings is 30.81 (13)°. The benzoxazole ring system is approximately planar [maximum deviation = 0.016 (4) Å]. The atoms of the ethyl side chain are disordered over two sets of sites [site occupancies = 0.376 (9) and 0.624 (9)]. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen bond, generating an S(6) motif. The crystal packing is stabilized by inter-molecular C-H⋯O inter-actions, generating a chain running along the a axis.

| S-EPMC3151913 | biostudies-literature

Ethyl 1-benzoyl-4-hy-droxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(27)H(25)NO(4), the tetra-hydro-pyridine ring adopts a half-chair conformation. The three phenyl rings form dihedral angles of 66.33 (7), 87.36 (8) and 36.90 (7)° with the least-squares plane through the tetra-hydro-pyridine ring. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen bond, generating an S(6) motif.

| S-EPMC3052159 | biostudies-literature

Ethyl 4-hydr-oxy-1-(2-morpholinopro-pano-yl)-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridin-3-carboxyl-ate.

Project description:In the title compound, C(27)H(32)N(2)O(5), the morpholine ring adopts a chair conformation with two C atoms deviating by -0.656 (4) and 0.679 (3) Å from the least-squares plane defined by the rest of atoms in the ring. The tetra-hydro-pyridine ring adopts a half-chair conformation. The mol-ecular structure is stabilized by a strong intra-molecular O-H⋯O inter-action, generating an S(6) motif. The crystal packing is stabilized by inter-molecular C-H⋯O inter-actions, generating a C(7) chain along the a axis, and R(2) (2)(20) and R(4) (4)(20) graph-set motifs.

| S-EPMC2971963 | biostudies-literature

Methyl 2,6-diphenyl-1-p-tolyl-4-(p-tolyl-amino)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(33)H(32)N(2)O(2), the tetra-hydro-pyridine ring adopts a boat conformation with the carbonyl group in an s-cis conformation with respect to the C=C bond of the six-membered tetra-hydro-pyridine ring. The mol-ecular conformation is stabilized by intra-molecular N-H?O, C-H?O and C-H?? inter-actions. Formation of centrosymmetric head-to-head dimers is observed through pairwise inter-molecular N-H?O hydrogen bonds. Additional weak C-H?O and C-H?? inter-actions stabilize the three-dimensional mol-ecular assembly.

| S-EPMC3414317 | biostudies-literature

Ethyl 4-hydr-oxy-2,6-diphenyl-1-(2-thio-morpholinopropano-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(27)H(32)N(2)O(4)S, the thio-morpholine ring adopts a chair conformation and the tetra-hydro-pyridine ring is in a distorted envelope conformation. The mol-ecular structure is stabilized by an intra-molecular O-H?O inter-action and the crystal packing is stabilized by an inter-molecular C-H?O inter-action, generating an S(6) motif and a dimer of the type R(2) (2)(18), respectively.

| S-EPMC2971869 | biostudies-other

Ethyl 2,6-bis-(4-chloro-phen-yl)-4-(4-methyl-anilino)-1-(4-methyl-phen-yl)-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title mol-ecule, C34H32Cl2N2O2, the tetra-hydro-pyridine ring adopts a distorted boat conformation and both 4-chloro-phenyl substituents are in axial positions. An intra-molecular N-H?O hydrogen bond is formed by the amino group and carbonyl O atom. In the crystal, weak C-H?Cl inter-actions link the mol-ecules into chains along [010].

| S-EPMC3588410 | biostudies-literature

Ethyl 1-(2-bromo-propano-yl)-4-hydr-oxy-2,6-diphenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxylate.

Project description:The title compound, C(23)H(24)BrNO(4), crystallizes with two independent mol-ecules per asymmetric unit. The methyl group of the ethoxy-carbonyl unit is disordered over two positions, with occupancies of 0.715?(12) and 0.285?(12) in one of the independent mol-ecules, and 0.529?(11) and 0.471?(11) in the other mol-ecule. In one of the independent mol-ecules, the tetra-hydro-pyridine ring adopts a half-chair conformation, while in the other it is in a distorted envelope conformation. In each independent mol-ecule, an intra-molecular O-H?O hydrogen bond generates an S(6) ring motif. The two independent mol-ecules are linked via C-H?O hydrogen bonds, forming a chain along the c axis.

| S-EPMC2969390 | biostudies-literature

Ethyl 4-anilino-2,6-bis-(4-fluoro-phen-yl)-1-phenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:In the title compound, C(32)H(28)F(2)N(2)O(2), the tetra-hydro-pyridine ring adopts a distorted boat conformation. The two fluoro-phenyl groups are attached to the tetra-hydro-pyridine ring in a trans orientation. The dihedral angle between the planes of the fluoro-substituted rings is 57.0?(1)°. The amino group and carbonyl O atom are involved in intra-molecular hydrogen bonding. In the crystal, weak C-H?O, C-H?F and C-H?? inter-actions link the mol-ecules into columns along [010].

| S-EPMC3569819 | biostudies-other

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