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

ABSTRACT: 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.

SUBMITTER: Celik I

PROVIDER: S-EPMC2970342 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Celik Ismail I Akkurt Mehmet M Jarrahpour Aliasghar A Ebrahimi Edris E Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20090926 Pt 10

In the title mol-ecule, C(35)H(22)BrNO(2), the four-membered ring of the β-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⋯π inter-actions. ...[more]

PMID: 21577969

Similar Datasets

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

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 ?-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?? 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

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

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

Project description: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.

| S-EPMC2961274 | biostudies-other

(Z)-3-(9-Anthr-yl)-1-(4-bromo-phen-yl)-2-(4-nitro-1H-imidazol-1-yl)prop-2-en-1-one.

Project description:In the title mol-ecule, C(26)H(16)BrN(3)O(3), the anthracene and benzene mean planes make dihedral angles of 63.79?(2) and 14.67?(2)°, respectively, with the plane of the imidazole ring. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules to form centrosymmetric dimers. Weak ?-? stacking inter-actions, with centroid-centroid distances of 3.779?(2) and 3.826?(2)?Å, supply additional stabilization. The crystal packing also exhibits short inter-molecular contacts between the nitro groups and Br atoms [Br?O = 3.114?(2)?Å].

| S-EPMC2969633 | biostudies-literature

(Z)-3-(9-Anthr-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title chalcone derivative, C(24)H(18)O(2), which consists of the substituted 4-methoxy-phenyl and anthracene rings bridged by the prop-2-en-1-one unit, exists in a cis configuration. The mol-ecule is twisted, the inter-planar angle between the benzene and anthracene rings being 69.50?(10)°. The meth-oxy group is coplanar with the attached benzene ring [C-O-C-C angle = 2.9?(3)°]. In the crystal structure, mol-ecules are linked into chains along the a axis by a weak C-H?O(enone) inter-action. The chains are stacked along the c axis. A C-H?? inter-action involving the benzene ring is observed.

| S-EPMC2971453 | biostudies-literature

(2E)-1-(2-Bromo-phen-yl)-3-(4-bromo-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)Br(2)O, is a chalcone with 2-bromo-phenyl and 4-bromo-phenyl rings bonded to opposite sides of a propenone group. The dihedral angle between mean planes of the benzene rings is 71.3 (1)°. The angle between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromo-phenyl and 4-bromo-phenyl rings are 64.2 (9) and 71.3 (1)°, respectively. A weak inter-molecular C-H⋯O inter-action and two weak C-Br⋯π inter-actions are observed, which contribute to the stability of the crystal packing.

| S-EPMC3006939 | 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