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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.

ABSTRACT: 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.

SUBMITTER: Narayanan S

PROVIDER: S-EPMC3588945 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

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

2'-Methyl-3,5-diphenyl-spiro-[4,6-dioxa-2-aza-bicyclo-[3.2.0]hept-2-ene-7,4'-iso-quinoline]-1',3'(2'H,4'H)-dione.

Project description:In the title compound, C(25)H(18)N(2)O(4), the tetra-hydro-pyridine ring adopts a distorted envelope conformation with the spiro C atom at the flap position [deviation = 0.470?(2)?Å]. The dihydro-oxazole ring is planar (r.m.s. deviation = 0.013?Å) and it makes dihedral angles of 73.43?(8) and 4.24?(8)° with the two attached phenyl rings. The dihedral angle between oxetane and oxazole planes is 67.44?(9)°. In the crystal structure, C-H?O hydrogen bonds link neighbouring mol-ecules into zigzag chains along the b axis and these chains are linked via C-H?? inter-actions.

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8,9-Isopropyl-idenedi-oxy-3-p-tolyl-1,6-dioxa-3-aza-spiro-[4.5]decane-2,10-dione.

Project description:In the title compound, C(17)H(19)NO(6), which may serve as a ketone catalyst for the asymmetric epoxidation of olefins, the crystal packing is consolidated by C-H⋯O inter-actions.

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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.

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(4,7,13,16,21,24-Hexaoxa-1,10-di-aza-bicyclo-[8.8.8]hexa-cosa-ne)sodium iodide-1,1,2,2,tetra-fluoro-1,2-diiodo-ethane (2/3).

Project description:The title complex (CX1), [Na(C18H36N2O6)]I·1.5C2F4I2, is a three-component adduct containing a [2.2.2]-cryptand, sodium iodide and 1,1,2,2-tetra-fluoro-1,2-di-iodo-ethane. The di-iodo-ethane works as a bidentate halogen-bonding (XB) donor, the [2.2.2]-cryptand chelates the sodium cation, and the iodide counter-ion acts as a tridentate XB acceptor. A (6,3) network is formed in which iodide anions are the nodes and halocarbons the sides. The network symmetry is C 3i and the I⋯I(-) XB distance is 3.4492 (5) Å. This network is strongly deformed and wrinkled. It forms a layer 9.6686 (18) Å high and the inter-layer distance is 4.4889 (10) Å. The cations, inter-acting with each other via weak O⋯H hydrogen bonds, are confined between two anionic layers and also form a (6,3) net. The structure of CX1 is closely related to that of the KI homologue (CX2). The 1,1,2,2,-tetrafluoro-1,2-diiodoethane molecule is rotationally disordered around the I⋯I axis, resulting in an 1:1 disorder of the C2F4 moiety.

| S-EPMC3772422 | biostudies-literature

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

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

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.

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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

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