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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.

ABSTRACT: 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.

SUBMITTER: Narayanan S

PROVIDER: S-EPMC3588946 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

3-(2,4-Dichloro-benzyl-idene)-1,5-dioxa-spiro-[5.5]undecane-2,4-dione.

Project description:In the title mol-ecule, C(16)H(14)Cl(2)O(4), the 1,3-dioxane and cyclo-hexane rings exhibit distorted boat and chair conformations, respectively. In the crystal, a pair of weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into an inversion dimer.

| S-EPMC3120393 | biostudies-literature

3-(4-Fluoro-benzyl-idene)-1,5-dioxa-spiro-[5.5]undecane-2,4-dione.

Project description:In the title mol-ecule, C(16)H(15)FO(4), the fused 1,3-dioxane and cyclo-hexane rings exhibit a bath and a chair conformation, respectively. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC3051599 | biostudies-literature

(Z)-3-(3-Phenyl-allyl-idene)-1,5-dioxa-spiro-[5.5]undecane-2,4-dione.

Project description:In the title compound, C(18)H(18)O(4), the 1,3-dioxane ring adopts a distorted envelope conformation with the C atom common to the cyclo-hexane ring forming the flap. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds occur.

| S-EPMC2970375 | biostudies-literature

3,8-Dimethyl-acenaphthyl-ene-1,2-dione.

Project description:In the title compound, C(14)H(10)O(2), the acenaphthene-quinone core is essentially planar, with an r.m.s. deviation of 0.0140?Å. In the crystal, mol-ecules are connected by ?-? stacking inter-actions [centroid-centroid distances = 3.766?(3), 3.839?(3) and 3.857?(3)?Å], forming columns parallel to the a axis.

| S-EPMC3213570 | biostudies-literature

3-(4-Meth-oxy-benzyl-idene)-1,5-dioxa-spiro-[5.5]undecane-2,4-dione.

Project description:In the title mol-ecule, C(17)H(18)O(5), which was prepared by the reaction of (R)-1,5-dioxaspiro-[5.5]undecane-2,4-dione and 4-meth-oxy-benzaldehyde with ethanol, the 1,3-dioxane ring is in a distorted envelope conformation with the spiro C atom forming the flap. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3009085 | biostudies-other

10,16-Dichloro-6,20-dioxa-3,23-diaza-tetra-cyclo-[23.3.1.0.0]nona-cosa-1(29),7,9,11,14(19),15,17,25,27-nona-ene-4,22-dione methanol monosolvate.

Project description:In the title compound, C(25)H(22)Cl(2)N(2)O(4)·CH(3)OH, the macrocyclic mol-ecule adopts a slightly distorted C(2)-symmetric conformation. The macrocyclic mol-ecules are linked via N-H?O hydrogen bonds between the amide groups into chains extending along the [010] direction. The methanol mol-ecules bridge these chains via N-H?O and O-H?O hydrogen bonds with the formation of a two-dimensional polymeric structure parallel to (001). The methanol mol-ecule is disordered over two positions with the occupancy ratio of 9:1. The disorder of the solvent molecule is caused by weak intermolecular C-H?Cl hydrogen bonding.

| S-EPMC3297870 | biostudies-other

8,15-Dioxa-10,13-di-aza-tetra-cyclo-[14.4.0.0(2,7).0(9,14)]icosa-1(16),2,4,6,9(14),10,12,17,19-nona-ene.

Project description:The asymmetric unit of the title compound, C16H10N2O2, contains one half-mol-ecule, the complete mol-ecule being generated by twofold rotation symmetry. The plane of the pyrazine ring forms a dihedral angle of 64.87?(6)° with that of the benzene ring, and the planes of the two benzene rings are inclined to one another by 54.20?(6)°. The O atom deviates from the plane of the benzene ring by 0.1549?(8)?Å. There are no significant inter-molecular inter-actions in the crystal.

| S-EPMC3648330 | biostudies-literature

2,4-Dioxa-?(6)-thia-tetra-cyclo-[5.3.1.1(5,9).0(1,5)]dodecane-3,3-dione.

Project description:The crystal structure of the title compound, C(9)H(12)O(4)S, was determined in order to investigate the effect of the eclipsed O atoms on the bond length of the vicinal quaternary C atoms. The two quaternary C atoms of the noradamantane skeleton and the two O atoms to which they are connected all located essentially in the same plane (maximum deviation = 0.01?Å), resulting in an eclipsed conformation of the C-O bonds. The C-C bond of the quaternary C atoms is 1.581?(3)?Å, considerably longer than the other C-C bonds of the mol-ecule due to the stretch of the cage structure.

| S-EPMC3379310 | biostudies-other

3,3,9,9-Tetra-phenyl-2,4,8,10-tetra-oxa-spiro-[5.5]undeca-ne.

Project description:In the title compound, C(31)H(28)O(4), the asymmetric unit contains two crystallographically independent mol-ecules. In these two mol-ecules, the four dihedral angles between each pair of phenyl rings on the same C atoms are 75.4?(1), 83.0?(1), 85.0?(1) and 80.4?(2)°. All of the nonplanar six-membered heterocycles adopt chair conformations. Inter-molecular C-H?? and weak C-H?O inter-actions link the mol-ecules and are effective in the stabilization of the crystal structure.

| S-EPMC3009283 | biostudies-literature

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