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11-[1-(4-Meth-oxy-phen-yl)-4-oxo-3-phen-oxy-azetidin-2-yl]-14-methyl-12-oxa-8,14-diaza-tetra-cyclo-[8.3.3.0(1,10).0(2,7)]hexa-deca-2(7),3,5-triene-9,13-dione.

ABSTRACT: In the title compound, C(30)H(27)N(3)O(6), the furan and pyrrolidine rings adopt envelope conformations (with C and N atoms as the flaps, respectively). The piperidine ring is in a distorted boat conformation. The β-lactam ring is planar [maximum deviation = 0.0044 (16) Å] and forms dihedral angles of 30.61 (9) and 85.51 (9)°, respectively, with the attached meth-oxy-phenyl and phen-oxy rings. The crystal packing is stabilized by N-H⋯O and C-H⋯O inter-actions forming R(2) (2)(8), R(2) (2)(20) and R(2) (2)(14) ring motifs. The crystal structure is further consolidated by weak C-H⋯π inter-actions.

SUBMITTER: Sundaramoorthy S

PROVIDER: S-EPMC3393999 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 11-(2,3-di-meth-oxy-phen-yl)-14-methyl-12-oxa-8,14-di-aza-tetra-cyclo-[8.3.3.0(1,10).0(2,7)]hexa-deca-2(7),3,5-triene-9,13-dione.

Project description:The title compound, C22H22N2O5, contains two conformationally similar mol-ecules (A and B) in its the asymmetric unit (r.m.s. overlay fit for the 29 non-H atoms = 0.194 Å). In each mol-ecule, the lactone ring has an envelope conformation with the spiro C atom as the flap. In the crystal, A+A and B+B inversion dimers linked by pairs of N-H⋯O hydrgen bonds occur; in both cases, R 2 (2)(8) loops are generated. A weak C-H⋯O inter-action is also observed, which links the dimers into [010] chains.

| S-EPMC4420094 | biostudies-literature

Crystal structure of 14-methyl-11-(3-methyl-phen-yl)-12-oxa-8,14-di-aza-tetra-cyclo-[8.3.3.0(1,10).0(2,7)]hexa-deca-2(7),3,5-triene-9,13-dione.

Project description:In the title compound, C21H20N2O3, the lactone ring adopts an envelope conformation with the quaternary C atom bonded to two other C atoms as the flap. The fused pyrrolidine ring adopts a twisted conformation about the Cq-N (q = quaternary) bond. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R 2 (2)(8) loops. The dimers are linked into [110] chains by pairs of C-H?O inter-actions, which generate R 2 (2)(14) loops.

| S-EPMC4459358 | biostudies-literature

(2,7-Dimeth-oxy-naphthalen-1-yl)(4-phen-oxy-phen-yl)methanone.

Project description:In the title mol-ecule, C25H20O4, the naphthalene and phen-oxy groups are oriented nearly perpendicular with respect to the benzene ring of the benzoyl group, with dihedral angles of 89.61?(5) and 86.13?(6)°, respectively. The crystal structure features C-H?O and C-H?? inter-actions.

| S-EPMC3588466 | 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

2,10-Bis(3-bromo-phen-yl)-3,7,11,15-tetra-oxa-8,16-diaza-tricyclo-[12.2.1.1]octa-deca-1(16),6(18),8,14(17)-tetra-ene.

Project description:The title compound, C(24)H(20)Br(2)N(2)O(4), is an 18-membered tricycle including two isoxazole rings. The asymmetric unit contains one half of the formula unit; a centre of inversion is located at the centroid of the compound. The dihedral angle between adjacent isoxazole and benzene rings is 84.0 (2)°. The compound displays intra- and inter-molecular ?-? stacking inter-actions between the isoxazole rings, the shortest centroid-centroid distances being 3.837?(3) and 3.634?(3)?Å, respectively. The mol-ecules are stacked in columns along the a axis with short Br?Br contacts [3.508?(1)?Å].

| S-EPMC3007534 | biostudies-literature

(8-Benzoyl-2,7-dimeth-oxy-naphthalen-1-yl)(4-phen-oxy-phen-yl)methanone.

Project description:In the mol-ecule of the title compound, C32H24O5, the benzoyl group and the 4-phenoxy substituted benzoyl group at the 1- and 8-positions of the naphthalene ring system are aligned almost anti-parallel. The two benzene rings make a dihedral angle of 21.18?(10)°, and are inclined to the naphthalene ring system by 86.53?(9) and 82.95?(8)°, respectively. In the crystal, C-H?O inter-actions are observed involving aromatic and meth-oxy H atoms with ketonic carbonyl O atoms, as well as C-H?? inter-actions between aromatic H atoms and the ?-systems of naphthalene and benzene rings. These interactions form a three-dimensional architecture and afford a waved alignment of the naphthalene ring systems along the c axis.

| S-EPMC3588546 | biostudies-literature

Methyl 11-hy-droxy-9-[1-(4-meth-oxy-phen-yl)-4-oxo-3-phen-oxy-azetidin-2-yl]-18-oxo-10-oxa-2-aza-penta-cyclo-[9.7.0.0(1,8).0(2,6).0(12,17)]octa-deca-12(17),13,15-triene-8-carboxyl-ate.

Project description:In the title compound, C(34)H(32)N(2)O(8), one of the pyrrolidine rings in the pyrrolizidine ring system adopts a twist conformation, whereas the other ring adopts an envelope conformation (C atom as flap). The five-membered ring in the indene ring system and the fused furan ring also adopt envelope conformations (C and O atoms as flaps, respectively). The β-lactam ring makes dihedral angles of 23.41 (2) and 25.98 (2)°, respectively, with the attached meth-oxy-phenyl and phen-oxy rings. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond, generating an S(5) motif. In the crystal, mol-ecules are linked into C(12) chains running along the a axis by C-H⋯O hydrogen bonds. The structure is further consolidated by weak inter-molecular C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.7987 (14) Å].

| S-EPMC3393998 | biostudies-literature

(2,7-Dimeth-oxy-naphthalen-1-yl)(phen-yl)methanone.

Project description:The asymmetric unit of the title compound, C(19)H(16)O(3), contains three independent conformers. Each of the three conformers has essentially the same feature of non-coplanar aromatic rings whereby the aroyl group at the 1-position of the naphthalene ring is twisted in a perpendicular manner to the naphthalene ring. The dihedral angles between the benzene ring planes and the naphthalene ring systems are 75.34?(7), 86.47?(7) and 76.55?(6)° in the three conformers. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonds.

| S-EPMC2983196 | biostudies-literature

[2,7-Dihy-droxy-8-(4-phen-oxy-benzo-yl)naphthalen-1-yl](4-phen-oxy-phen-yl)methanone.

Project description:In the title compound, C(36)H(24)O(6), the benzoyl groups at the 1- and 8-positions of the naphthalene system are in an anti orientation. Both carbonyl groups form intra-molecular O-H?O hydrogen bonds with hy-droxy groups affording six-membered rings. The benzene rings of the benzoyl groups make dihedral angles of 59.26?(13) and 59.09?(13)° with the naphthalene ring system. Zigzag C-H?O chains and ladder C-H?O chains between the phenoxybenzoyl groups along the ab diagonals form an undulating checkered sheet. The molecules are further connected into a three-dimensional network by C-H?? interactions.

| S-EPMC3569745 | biostudies-literature

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