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Ethyl 8,13-dioxa-21-aza-penta-cyclo-[18.5.1.0(2,7).0(14,19).0(21,25)]hexa-cosa-2(7),3,5,14,16,18-hexa-ene-26-carboxyl-ate.

ABSTRACT: In the title compound, C26H31NO4, the five-membered rings of the central pyrrolizine system adopt N-envelope conformations. The ethyl acetate group adopts an extended conformation. The dihedral angle between the benzene rings is 36.6?(1)°. In the crystal, C-H?O hydrogen bonds form a zigzag chain running along the b-axis directions. The crystal structure is futher consolidated by C-H?? inter-actions.

SUBMITTER: Narayanan S

PROVIDER: S-EPMC3588371 | biostudies-other | 2013 Jan

REPOSITORIES: biostudies-other

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Ethyl 8,13-dioxa-21-aza-penta-cyclo-[18.5.1.0(2,7).0(14,19).0(21,25)]hexa-cosa-2(7),3,5,14,16,18-hexa-ene-26-carboxyl-ate.

Narayanan Sibi S Srinivasan Thothadri T Purushothaman Santhanagopalan S Raghunathan Raghavachary R Velmurugan Devadasan D

Acta crystallographica. Section E, Structure reports online 20121205 Pt 1

In the title compound, C26H31NO4, the five-membered rings of the central pyrrolizine system adopt N-envelope conformations. The ethyl acetate group adopts an extended conformation. The dihedral angle between the benzene rings is 36.6 (1)°. In the crystal, C-H⋯O hydrogen bonds form a zigzag chain running along the b-axis directions. The crystal structure is futher consolidated by C-H⋯π inter-actions. ...[more]

PMID: 23476412

Similar Datasets

8,13,26-Trioxa-23-thia-21-aza-penta-cyclo-[18.6.0.0(2,7).0(14,19).0(21,25)]hexa-cosa-2(7),3,5,14,16,18-hexa-ene.

Project description:In the title compound, C21H23NO3S, both the thia-zole and oxazolidine rings adopt twist conformations. The mean plane of the thia-zole ring makes a dihedral angle of 61.02 (7)° with the oxazolidine ring mean plane, and dihedral angles of 22.72 (6) and 75.07 (6)° with the benzene rings. The benzene rings are almost perpendicular to one another, making a dihedral angle of 89.14 (6)°. There are bifurcated intra-molecular C-H⋯O hydrogen bonds in the mol-ecular structure. In the crystal, mol-ecules are linked via C-H⋯π inter-actions, forming chains propagating along [100].

| S-EPMC3685049 | biostudies-literature

8,11,24-Trioxa-21-thia-19-aza-penta-cyclo-[16.6.0.0(2,7).0(12,17).0(19,23)]tetra-cosa-2(7),3,5,12,14,16-hexa-ene.

Project description:In the title compound, C19H19NO3S, the thia-zole and oxazolidine rings each adopt an envelope conformation, with the S and O atoms as the respective flap atoms. The thia-zole and oxazolidine rings (all atoms) make a dihedral angle of 66.39 (11)° while the phenyl rings subtend a dihedral angle of 22.71 (10)°.

| S-EPMC3685055 | biostudies-literature

4'-Methyl-14',19'-dioxa-4'-aza-spiro-[acenaphthyl-ene-1,5'-tetra-cyclo-[18.4.0.0(2,6).0(8,13)]tetra-cosa-ne]-1'(24'),8',10',12',20',22'-hexa-ene-2,7'(1H)-dione.

Project description:In the title compound, C33H29NO4, the acenaphthyl-ene ring system is essentially planar (r.m.s. deviation = 0.0290 Å). The pyrrolidine ring adopts a C-envelope conformation with a C atom displaced by 0.671 (2) Å from the mean-plane formed by the remaining ring atoms. The pyrrolidine ring is fused to acenaphthyl-ene ring system making a dihedral angle of 88.0 (7)°. In the crystal, mol-ecules are linked into R(2)2(9) dimers via C-H⋯N and C-H⋯O hydrogen bonds. Two C atoms act as donors to the same O atom acceptor, resulting in the formation of R(2)1(7) ring motifs. These two motifs combine to form hydrogen-bonded sheets running along the a- and b-axis directions.

| S-EPMC3588946 | biostudies-literature

Crystal structure of 26-(4-methyl-phen-yl)-8,11,14,17-tetra-oxa-28-aza-tetra-cyclo[22.3.1.0(2,7).0(18,23)]hexa-cosa-2,4,6,18(23),19,21,24(1),25,27-nona-ene.

Project description:The title compound, C30H29NO4, is a tetra-cyclic system containing a 4-aryl-pyridine fragment, two benzene rings and an aza-17-crown-5 ether moiety, in a bowl-like arrangement. The pyridine ring is inclined to the 4-methyl-phenyl ring by 26.64?(6)°, and by 57.43?(6) and 56.81?(6)° to the benzene rings. The benzene rings are inclined to one another by 88.32?(6)°. In the crystal, mol-ecules are linked by pairs of C-H?N hydrogen bonds, forming inversion dimers with an R 2 (2)(14) ring motif. The dimers are linked via a number of C-H?? inter-actions, forming a three-dimensional architecture.

| S-EPMC4908512 | biostudies-literature

(2RS,3SR,10SR,11RS)-3,10-Diphen-oxy-18,21-dioxa-5,8-diaza-penta-cyclo-[20.4.0.0.0.0]hexa-cosa-1(26),12,14,16,22,24-hexa-ene-4,9-dione ethyl acetate hemisolvate.

Project description:In the title compound, C(34)H(30)N(2)O(6)·0.5C(4)H(8)O(2), there are two mol-ecules in the asymmetric unit and the structure is stabilized by C-H?O inter-actions. The two nonsolvent mol-ecules of the asymmetric unit are linked together by a weak C-H?O hydrogen bond. The ethyl acetate mol-ecule is present as a space filler and does not participate in the hydrogen-bonding network.

| S-EPMC3213633 | biostudies-literature

Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triaza-penta-cyclo-[19.7.1.0(2,7).0(15,20).0(22,27)]nona-cosa-2,4,6,15(20),16,18,21,26-octa-ene-26-carboxyl-ate.

Project description:The title compound, C33H35N3O5, is the product of the multicomponent condensation of 1-benzyl-4-eth-oxy-carbonyl-piperidin-3-one with 1,5-bis-(2-formyl-phen-oxy)-3-oxapentane and ammonium acetate. The mol-ecule comprises a penta-cyclic system containing the aza-14-crown-4-ether macrocycle, tetra-hydro-pyrimidine, tetra-hydro-pyridine and two benzene rings. The aza-14-crown-4-ether ring adopts a bowl conformation with a dihedral angle of 62.37 (5)° between the benzene rings. The tetra-hydro-pyrimidine ring has an envelope conformation with the chiral C atom as the flap, whereas the tetra-hydro-pyridine ring adopts a distorted chair conformation. Two amino groups are involved in intra-molecular N-H⋯O hydrogen bonds. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ab plane.

| S-EPMC3629615 | biostudies-literature

3,22-Dioxa-11,14-di-aza-penta-cyclo-[12.8.0.0(2,11).0(5,10).0(15,20)]docosa-5(10),6,8,15(20),16,18-hexa-ene-4,21-dione.

Project description:In the title compound, C18H14N2O4, the piperazine ring adopts a chair conformation and the dihedral angle between the aromatic rings is 13.09?(9)°. In the crystal, mol-ecules are linked along the c axis by C-H?? and N?? [H(N)-centroid distances = 2.8030?(2) and 3.376?(2)?Å] inter-actions between neighbouring mol-ecules.

| S-EPMC3790403 | biostudies-literature

4'-Methyl-1H-14',19'-dioxa-4'-aza-spiro-[indole-3,5'-tetra-cyclo-[18.4.0.0(2,6).0(8,13)]tetra-cosa-ne]-1'(24'),8',10',12',20',22'-hexa-ene-2,7'(3H)-dione.

Project description:In the title compound, C29H28N2O4, the indoline ring system is essentially planar, with a maximum deviation of 0.027 (2) Å; the carbonyl O atom lies 0.102 (1) Å out of the least-squares plane of the indole ring. The pyrrolidine ring adopts a C-envelope conformation, with a C atom displaced by 0.643 (2) Å from the mean plane formed by the remaining ring atoms. The pyrrolidine ring makes a dihedral angle of 86.1 (8)° with the indoline ring system. In the crystal, N-H⋯O hydrogen bonds result in the formation of cyclic centrosymmetric dimers [R2(2)(8)]. C-H⋯π inter-actions also occur, leading to a chain along the b-axis direction. There is a rather weak π-π electron inter-action between the pyrrazole and benzene rings, with a centroid-centroid distance of 3.765 (1) Å.

| S-EPMC3588945 | biostudies-literature

Crystal structure of (1RS,21SR,22RS,24SR)-28-oxo-24-propyl-8,11,14-trioxa-24,27-di-aza-penta-cyclo[19.5.1.1(22,26).0(2,7).0(15,20)]octa-cosa-2,4,6,15(20),16,18-hexa-ene acetic acid monosolvate.

Project description:The title compound, C26H32N2O4(M)·C2H4O2, (I), is the product of the Petrenko-Kritchenko condensation of N-propyl-piperidinone with 1,5-bis-(2-formyl-phen-oxy)-3-oxa-pentane and ammonium acetate. In M, the aza-14-crown-3-ether ring adopts a bowl conformation, with the configuration of the C-O-C-C -O-C-C-O-C polyether chain being t-g ((-))-t-t-g ((+))-t (t = trans, 180°; g = gauche, ±60°). The dihedral angle between the planes of the benzene rings fused to the aza-14-crown-4-ether moiety is 62.75?(5)°. The central piperidinone ring has a boat conformation, whereas the terminal piperidinone ring adopts a chair conformation. The boat conformation of the central piperidinone ring is supported by the bifurcated intra-molecular N-H?O hydrogen bond. In the crystal, each solvent mol-ecule is linked to mol-ecule M via strong O-H?N hydrogen bonding, forming hydrogen-bonded pairs of mol-ecules, which further inter-act through weak C-H?O hydrogen bonds, forming layers parallel to the ac plane.

| S-EPMC4908554 | biostudies-literature

Methyl 11,14,16-triphenyl-8,12-dioxa-14,15-di-aza-tetra-cyclo-[8.7.0.0(2,7).0(13,17)]hepta-deca-2(7),3,5,13(17),15-penta-ene-10-carboxyl-ate.

Project description:In the title compound, C33H26N2O4, the pyrazole ring makes dihedral angles of 15.13 (7) and 60.80 (7)° with the adjacent phenyl rings. Both di-hydro-pyran rings exhibit half-chair conformations. A weak intra-molecular C-H⋯O inter-action occurs. In the crystal, mol-ecules are linked into inversion dimers through pairs of C-H⋯N inter-actions. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3772469 | biostudies-literature

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