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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.

ABSTRACT: 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.

SUBMITTER: Savithri MP

PROVIDER: S-EPMC4420094 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

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.

Project description: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.

| S-EPMC3393999 | biostudies-literature

2,5,11,14-Tetra-oxa-8-aza-dispiro-[13.4.0]nona-deca-15,17,19-triene.

Project description:The title compound, C(14)H(21)NO(4), has been synthesized from o-dihydroxy-benzene by a three-step reaction. There are two chemically equal but crystallographically independent mol-ecules in the asymmetric unit. The crystal packing is governed by C-H?O hydrogen bonds and C-H?? inter-actions, forming an infinite network.

| S-EPMC2979120 | biostudies-literature

19-Ferrocenyl-18-oxa-8,16-diaza-penta-cyclo-[8.6.3.0.0.0]nona-deca-2(7),3,5-triene-9,17-dione.

Project description:In the title compound, [Fe(C(5)H(5))(C(21)H(19)N(2)O(3))], both pyrrol-idine rings of the pyrrolizine substructure show an envelope conformation. In the ferrocenyl moiety, the unsubstituted cyclo-penta-dienyl ring is disordered over two orientations with site occupancies of 0.64?(2) and 0.36?(2). In the pyrrolizine ring, one C atom is disordered over two positions, with site occupancies of 0.71?(1) and 0.29?(1). Intra-molecular C-H?O inter-actions occur. The crystal packing is established through weak inter-molecular C-H?O and N-H?O inter-actions.

| S-EPMC3011590 | biostudies-literature

Crystal structures and conformations of two Diels-Alder adduct derivatives: 1,8-bis-(thio-phen-2-yl)-14-oxa-tetra-cyclo-[6.5.1.0(2,7).0(9,13)]tetra-deca-2(7),3,5-trien-10-one and 1,8-diphenyl-14-oxa-tetra-cyclo[6.5.1.0(2,7).0(9,13)] tetra-deca-2,4,6-trien-10-one.

Project description:The title compounds, C21H16O2S2 (I) and C25H20O2 (II), are products of a tandem 'pincer' Diels-Alder reaction consisting of [2 + 2] cyclo-additions between benzo[c]furan and cyclo-penta-none. Each comprises a fused tetra-cyclic ring system containing two five-membered rings (in envelope conformations with the O atom as the flap) and six-membered rings (in boat conformations). In addition, two thio-phene rings in (I) and two phenyl rings in (II) are attached to the tetra-cyclic ring system. The cyclo-penta-none ring adopts a twisted conformation in (I) and an envelope conformation in (II). In (I), the thio-phene rings are positionally disordered over two sets of sites, with occupancy ratios of 0.901?(2):0.099?(2) and 0.666?(2):0.334?(2). In (II), the oxygen atom of the cyclo-penta-none ring is rotationally disordered over two sites with an occupancy ratio of 0.579?(4):0.421?(4). The mol-ecular structure of (I) is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(7) ring motif. In the crystal, the mol-ecules are linked via weak C-H?O hydrogen bonds, which generate R (2) 2(16) ring motifs in (I) and C(8) chains in (II). In both structures, the crystal packing also features C-H?? inter-actions. The crystal studied of compound (I) was twinned by non-merohedry. The twin component is related by the twin law [-1 0 0 -0.101 1 -0.484 0 0 -1] operated by a twofold rotation axis parallel to the b axis. The structure of (I) was refined with a twin scale factor of 0.275?(2).

| S-EPMC4384542 | biostudies-literature

2,10-Dihydr-oxy-13-methyl-13-aza-tetra-cyclo-[9.3.1.0.0]penta-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title compound, C(15)H(15)NO(4), the n-methyl-piperidone ring adopts a chair conformation and both five-membered rings adopt a twist conformation. An intra-molecular O-H⋯O hydrogen bond is observed. Inversion-related mol-ecules are linked into R(2) (2)(10) dimers by pairs of O-H⋯O hydrogen bonds. The crystal structure is further stabilized by C-H⋯O hydrogen bonds.

| S-EPMC2969762 | biostudies-literature

7,14-Bis(4-methoxy-phen-yl)-11,11-dimethyl-1,4,10,12-tetra-oxa-dispiro-[4.2.5.2]penta-decane-9,13-dione.

Project description:In the title compound, C(27)H(30)O(8), the cyclo-hexane ring is in a chair conformation, while the five-membered ring adopts an envelope conformation. The 1,3-dioxane ring is oriented with respect to the benzene rings at dihedral angles of 53.38 (3) and 55.31 (3)°, while the dihedral angle between the benzene rings is 71.56 (3)°. In the crystal structure, inter-molecular C-H⋯O inter-actions link the mol-ecules into chains.

| S-EPMC2977755 | biostudies-literature

7,14-Bis(4-bromo-phen-yl)-2,11,11-trimethyl-1,4,10,12-tetra-oxa-dispiro-[4.2.5.2]penta-decane-9,13-dione.

Project description:In the mol-ecule of the title compound, C(26)H(26)Br(2)O(6), the cyclo-hexane ring is in a chair conformation, while the five-membered and 1,3-dioxane rings both adopt envelope conformations. The dihedral angle between the benzene rings is 77.21 (3)°. In the crystal structure, weak inter-molecular C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(14) ring motifs. One of the Br atoms, the methyl C and H atoms, and the C atom bonded to the methyl group of the five-membered ring are disordered over two positions. The Br atoms were refined with occupancies of 0.51 (4) and 0.49 (4), while the C and H atoms were refined with occupancies of 0.320 (18) and 0.680 (18).

| S-EPMC2977817 | biostudies-literature

8-Phenyl-10-oxa-8-aza-tricyclo-[4.3.0.1]decane-7,9-dione.

Project description:The reaction of aniline with norcantharidin produced the imide title compound, C(14)H(13)NO(3), which shows no significant hydrogen bonds in the crystal structure. The dihedral angle between the phenyl and pyrrolidine rings is 48.48?(6)°.

| S-EPMC2968178 | biostudies-literature

Crystal structure of methyl 2-(2H-1,3-benzodioxol-5-yl)-7,9-di-bromo-8-oxo-1-oxa-spiro-[4.5]deca-2,6,9-triene-3-car-boxyl-ate.

Project description:The title compound, C18H12Br2O6, was synthesized from Morita-Baylis-Hillman adducts. It incorporates the bromin-ated spiro-hexa-dienone moiety typically exhibited by compounds of this class that exhibit biological activity. Both the brominated cyclo-hexa-dienone and the central five-membered rings are nearly planar (r.m.s. deviations of 0.044 and 0.016?Å, respectively), being almost perpendicularly oriented [inter-planar angle = 89.47?(5)°]. With respect to the central five-membered ring, the brominated cyclo-hexa-dienone ring, the benzodioxol ring and the carboxyl-ate fragment make C-O-C-C, O-C-C-C and C-C-C-O dihedral angles of -122.11?(8), -27.20?(11) and -8.40?(12)°, respectively. An intra-molecular C-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked by non-classical C-H?O and C-H?Br hydrogen bonds resulting in a molecular packing in which the brominated rings are in a head-to-head orientation, forming well marked planes parallel to the b axis.

| S-EPMC4257376 | biostudies-literature

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