Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(9-Anthr-yl)-1-(4-methoxy-phen-yl)spiro-[azetidin-3,9'-xanthen]-2-one.

ABSTRACT: In the title mol-ecule, C(36)H(25)NO(3), the ?-lactam ring is essentially planar, with a dihedral angle of 3.3?(2)° between the two separate three-atom N/C/C planes. The ?-lactam ring makes dihedral angles of 28.45?(14), 87.4?(1) and 51.8?(1)° with the mean planes of the benzene, xanthene and anthracene ring systems, respectively. In addition to a weak intra-molecular C-H?N hydrogen bond, the crystal structure is stabilized by two weak inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC2961274 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4-(9-Anthr-yl)-1-(4-methoxy-phen-yl)spiro-[azetidin-3,9'-xanthen]-2-one.

Akkurt Mehmet M Karaca Selvi S Jarrahpour Aliasghar A Ebrahimi Edris E Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20080426 Pt 5

In the title mol-ecule, C(36)H(25)NO(3), the β-lactam ring is essentially planar, with a dihedral angle of 3.3 (2)° between the two separate three-atom N/C/C planes. The β-lactam ring makes dihedral angles of 28.45 (14), 87.4 (1) and 51.8 (1)° with the mean planes of the benzene, xanthene and anthracene ring systems, respectively. In addition to a weak intra-molecular C-H⋯N hydrogen bond, the crystal structure is stabilized by two weak inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21202385

Similar Datasets

4-(9-Anthr-yl)-1-(2-methoxy-phen-yl)spiro-[azetidin-3,9'-xanthen]-2-one.

Project description:The stabilized conformation of the title compound, C(36)H(25)NO(3), 4-(9-anthryl)-1-(2-methoxyphenyl)-spiro[azetid-in-3,9'-xanthen]-2-one, may be compared with that of the isomeric compound 4-(9-anthr-yl)-1-(4-methoxy-phen-yl)spiro-[azetidin-3,9'-xanthen]-2-one. In the title isomer, the meth-oxy group is slightly twisted out of the plane of the attached benzene ring, with a C-O-C-C torsion angle of 31.5?(2)°. Its ?-lactam ring is essentially planar, with a maximum deviation of -0.021?(1)?Å. The ?-lactam ring makes dihedral angles of 18.815?(9), 83.33?(7) and 53.62?(8)° with the mean planes of the benzene, xanthene and anthracene ring systems, respectively. The structure is stabilized by C-H??, C-H?N and C-H?O inter-actions.

| S-EPMC2968572 | biostudies-literature

4-(9-Anthr-yl)-1-(3-bromo-phen-yl)spiro-[azetidine-3,9'-xanthen]-2-one.

Project description:In the title mol-ecule, C(35)H(22)BrNO(2), the four-membered ring of the ?-lactam unit is nearly planar [maximum deviation = 0.003?(3)?Å] and makes dihedral angles of 87.07?(15), 59.80?(16) and 20.81?(19)°, respectively, with the xanthene system, the anthracene system and the bromo-substituted benzene ring. The mol-ecular conformation is stabilized by weak intra-molecular C-H?O and C-H?N hydrogen bonds. The crystal structure features weak C-H?? inter-actions.

| S-EPMC2970342 | biostudies-literature

4-(9-Anthr-yl)-1-(2,4-dimethoxy-phen-yl)spiro-[azetidine-3,9'-xanthen]-2-one.

Project description:The title compound, C(37)H(27)NO(4), crystallizes with two mol-ecules in the asymmetric unit. The ?-lactam ring of each mol-ecule is very nearly planar, with maximum deviations of 0.001?(2) and 0.017?(2)?Å in the two mol-ecules. The crystal structure is stabilized by inter-molecular C-H?O and C-H?N contacts, as well as by weak C-H?? inter-actions.

| S-EPMC2969353 | biostudies-literature

1-(Morpholin-4-yl)-4-(2-nitro-phen-yl)spiro-[azetidine-3,9'-xanthen]-2-one.

Project description:In the title compound, C22H21N3O5, the ?-lactam (azetidin-2-one) ring is nearly planar [maximum deviation = 0.010?(1)?Å] and makes dihedral angles of 69.22?(5), 55.32?(5) and 89.42?(4)° with the least-squares planes formed by the four C atoms of the morpholine ring, which adopts a chair conformation, the benzene ring and the xanthene ring system, respectively. In the crystal, C-H?O hydrogen-bond contacts connect neighbouring mol-ecules into infinite zigzag chains running parallel to the b axis.

| S-EPMC4120553 | biostudies-literature

1-[3-(Morpholin-4-yl)prop-yl]-4-(3-nitro-phen-yl)spiro-[azetidine-3,9'-xanthen]-2-one.

Project description:The β-lactam (azetidin-2-one) ring of the title compound, C28H27N3O5, is nearly planar [maximum deviation = 0.010 (1) Å] and makes dihedral angles of 75.77 (5), 52.78 (9) and 88.72 (5)°, respectively, with the benzene ring, the least-squares plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation, and the xanthene ring system. In the crystal, C-H⋯O hydrogen-bond contacts connect neighbouring mol-ecules into infinite zigzag chains running parallel to the b axis.

| S-EPMC3998443 | biostudies-literature

4-(9-Anthr-yl)-1-(1-naphth-yl)spiro-[azetidine-3,9'-xanthen]-2-one n-hexane hemisolvate.

Project description:In the title compound, C(39)H(25)NO(2)·0.5C(6)H(14), the β-lactam ring is nearly planar [maximum deviation of 0.012 (2) Å from the mean plane] and makes dihedral angles of 36.41 (13), 88.87 (13) and 54.16 (12)°, respectively, with the naphthalene, xanthene and anthracene ring systems. The mol-ecular conformation is stabilized by intra-molecular C-H⋯O and C-H⋯N contacts. The complete solvent mol-ecule is generated by inversion. In the crystal structure, mol-ecules are linked to each other by C-H⋯π inter-actions.

| S-EPMC2960120 | biostudies-literature

4-(9-Anthr-yl)-1-phenylspiro-[azetidine-3,9'-xanthen]-2-one.

Project description:The ?-lactam ring of the title compound, C(35)H(23)NO(2), is nearly planar with a maximum deviation of 0.003?(3)?Å from the mean plane. It makes dihedral angles of 17.4?(2), 85.22?(17) and 65.39?(16)°, respectively, with the phenyl, xanthene and anthracene ring systems. In the crystal structure, there are intra-molecular C-H?O and C-H?N contacts and mol-ecules are also linked by C-H?? inter-actions.

| S-EPMC2968600 | biostudies-literature

1-(4-Meth-oxy-phen-yl)-4-(4-methyl-phen-yl)-3-phen-oxy-azetidin-2-one.

Project description:The central β-lactam ring of the title compound, C(23)H(21)NO(3), is almost planar (r.m.s. deviation = 0.032Å). The meth-oxy-benzene ring is almost coplanar with the β-lactam ring [dihedral angle = 1.87 (11)°], whereas the tolyl ring is almost normal to it [75.73 (12)°]. The dihedral angle between the β-lactam ring and the O-bonded phenyl ring is 51.95 (12)°. An intra-molecular C-H⋯O inter-action generates an S(6) ring. The crystal structure features inter-molecular C-H⋯O hydrogen bonds, forming layers parallel to (011), and weak C-H⋯π inter-actions. Two aromatic π-π stacking inter-actions [centroid-centroid distances = 3.6744 (12) and 3.6799 (11) Å] are also observed.

| S-EPMC3051730 | biostudies-literature

1-(4-Meth-oxy-phen-yl)-4-(3-nitro-phen-yl)-3-phen-oxy-azetidin-2-one.

Project description:In the title compound, C(22)H(18)N(2)O(5), the four-membered β-lactam ring is nearly planar, with a maximum deviation of 0.023 (2) Å for the N atom, and has long C-C distances of 1.525 (5) and 1.571 (5) Å. The mean plane of this group makes dihedral angles of 11.61 (19), 74.5 (2) and 72.3 (2)° with three aromatic rings. An intra-molecular C-H⋯O hydrogen bond occurs. The packing of the mol-ecules in the crystal structure is governed mainly by inter-molecular C-H⋯O hydrogen-bonding and C-H⋯π stacking inter-actions. Furthermore, a π-π inter-action [centroid-centroid distance = 3.6129 (19) Å] helps to stabilize the crystal structure.

| S-EPMC3051763 | biostudies-literature

4-(3-Methoxy-phen-yl)-3-[2-(4-methoxy-phen-yl)eth-yl]-1H-1,2,4-triazol-5(4H)-one.

Project description:The asymmetric unit of the title compound, C(18)H(19)N(3)O(3), contains two crystallographically independent but similar mol-ecules. The triazole ring is oriented with respect to the benzene rings to form dihedral angles of 57.96?(6) and 7.01?(6)° in one mol-ecule, and 64.37?(5) and 10.73?(5)° in the other. The two independent mol-ecules are linked into a dimer by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2968207 | 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