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1'-Methyl-4'-(1-naphth-yl)-3''-(1-naphthyl-methyl-ene)acenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-1''-cyclo-hexane-2,2''-dione.

ABSTRACT: In the title compound, C(42)H(33)NO(2), the six-membered cyclo-hexa-none ring adopts a slightly distorted chair conformation and the five-membered pyrrolidine ring is in an envelope conformation. The mol-ecular structure features four intra-molecular C-H?O inter-actions and an intra-molecular C-H?? inter-action. Furthermore, the crystal packing is stabilized by an inter-molecular C-H?O and three inter-molecular C-H?? inter-actions.

SUBMITTER: Athimoolam S

PROVIDER: S-EPMC2915050 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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1'-Methyl-4'-(1-naphth-yl)-3''-(1-naphthyl-methyl-ene)acenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-1''-cyclo-hexane-2,2''-dione.

Athimoolam S S Radha V Anu VA Bahadur S Asath SA Kumar R Ranjith RR Perumal S S

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(42)H(33)NO(2), the six-membered cyclo-hexa-none ring adopts a slightly distorted chair conformation and the five-membered pyrrolidine ring is in an envelope conformation. The mol-ecular structure features four intra-molecular C-H⋯O inter-actions and an intra-molecular C-H⋯π inter-action. Furthermore, the crystal packing is stabilized by an inter-molecular C-H⋯O and three inter-molecular C-H⋯π inter-actions. ...[more]

PMID: 21200972

Similar Datasets

Crystal structure of 5''-benzyl-idene-1'-methyl-4'-phenyl-tri-spiro-[ace-naphthyl-ene-1,2'-pyrrolidine-3',1''-cyclo-hexane-3'',2'''-[1,3]dioxane]-2,6''-dione.

Project description:In the title compound, C36H31NO4, two spiro links connect the methyl-substituted pyrrolidine ring to the ace-naphthyl-ene and cyclo-hexa-none rings. The cyclo-hexa-none ring is further connected to the dioxalane ring by a third spiro junction. The five-membered ring of the ace-naphthylen-1-one ring system adopts a flattened envelope conformation with the ketonic C atom as flap, whereas the dioxalane and pyrrolidine rings each have a twist conformation. The cyclo-hexa-none ring assumes a boat conformation. Three intra-molecular C-H?O hydrogen bonds involving both ketonic O atoms as acceptors are present. In the crystal, C-H?O hydrogen bonds connect centrosymmetrically related mol-ecule into chains parallel to the b axis, forming rings of R 2 (2)(10)and R 2 (2)(8) graph-set motifs.

| S-EPMC4778841 | biostudies-other

5''-(4-Chloro-benzyl-idene)-1',1''-dimethyl-3'-phenyl-acenaphthene-1-spiro-2'-pyrrolidine-3'-spiro-3''-pyridine-2,4''-dione.

Project description:In the title compound, C(34)H(28)Cl(2)N(2)O(2), the five-membered pyrrolidine ring adopts an envelope conformation and the six-membered piperidinone ring is in a distorted half-chair conformation. The mol-ecular structure shows three intra-molecular C-H?O inter-actions and the crystal packing is stabilized through inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC2915053 | biostudies-literature

2,2-Dimethyl-5-(2-naphthyl-amino-methyl-ene)-1,3-dioxane-4,6-dione.

Project description:There are two unique mol-ecules in the asymmetric unit of the title compound, C(17)H(15)NO(4), which are linked into chains via inter-molecular N-H?O and C-H?O inter-actions; the chains are linked via weak C-H?O inter-actions, forming a parallel sheet structure. The molecule is approximately planar, with dihedral angles of 19.91?(4) and 11.06?(4)° between the naphthyl ring and the amino-methyl-ene group, and between the amino-methyl-ene unit and the planar part of the dioxane ring, respectively. The dioxane ring adopts a half-boat conformation, with the C atom between the dioxane O atoms 0.595?(8)?Å out of the plane through the remaining atoms. The mol-ecule has an intra-molecular N-H?O hydrogen bond which stabilizes the planar conformation.

| S-EPMC2970245 | biostudies-literature

2,2-Dimethyl-5-(1-naphthyl-amino-methyl-ene)-1,3-dioxane-4,6-dione.

Project description:The benzyl ring of the title compound, C(17)H(15)NO(4), is twisted away from the plane defined by five atoms of the dioxane ring by 34.83 (4)°. The dioxane ring exhibits a half-boat conformation, with the C atom between the dioxane O atoms 0.571 (8) Å out of the plane through the remainder of the ring. An intra-molecular N-H⋯O hydrogen bond may contribute to the stabilization of the planar conformation of the mol-ecule. In the crystal, inversion dimers linked by pairs of C-H⋯O bonds occur.

| S-EPMC2969915 | biostudies-literature

[6]Cyclo-2,7-naphthyl-ene: a redetermination.

Project description:Single crystals of a macrocyclic hydro-carbon, [6]cyclo-2,7-naphthyl-ene ([6]CNAP, C(60)H(36)) were prepared from anthracene melt with a prolonged time for the recrystallization. The crystal of improved quality led to the correction of the space-group assignment to Cmca from [Formula: see text] in the original determination [Nakanishi et al. (2011 ?) Angew. Chem. Int. Ed.50, 5323-5326] and the refinement of anisotropic displacement parameters of all C atoms. The refined mol-ecular structure with C(2h) point symmetry indicated that the strain on the naphthyl rings of [6]CNAP is smallest among the congeners. Despite the large macrocyclic structure, mol-ecules are packed in a ubiquitous herringbone motif. A short C-C distance of 3.119?(4)?Å was found in the stacking direction, and a short C-H distance of 2.80?Å was found in the inter-columnar contact.

| S-EPMC3152034 | biostudies-literature

1''-Benzyl-1'-methyl-4'-(naphthalen-1-yl)naphthalene-2-spiro-3'-pyrrolidine-2'-spiro-3''-indoline-1,2''-dione.

Project description:In the title compound, C(38)H(32)N(2)O(2), the pyrrolidine ring adopts an envelope conformation, whereas the cyclo-hexa-none ring in the tetra-hydro-naphthalene fused-ring system adopts a half-chair conformation. The benzyl ring is oriented at an angle of 67.1?(1)° with respect to the naphthyl ring system. Four intra-molecular C-H?O close contacts and C-H?? inter-action are observed. In the crystal, mol-ecules associate via C-H?O hydrogen bonds, forming a C(12) chain motif along the ac plane.

| S-EPMC3151757 | biostudies-literature

6'-Methyl-1',2',3',4'-tetra-hydro-spiro-cyclo-hexane-2'-quinazolin-4'-one.

Project description:The title compound, C(14)H(18)N(2)O, was synthesized by the reaction of cyclo-hexa-none and 2-amino-5-methyl-benzonitrile. In the mol-ecule, the cyclo-hexane ring displays a chair conformation, whereas the 1,3-diaza-cyclo-hexane moiety of the bicyclic system has a sofa conformation with the spiro C atom displaced by 0.603?(2)?Å from the rest of the atoms of the 1,3-diaza-cyclo-hexane ring [planar within 0.052?(2)?Å]. Mol-ecules are linked into centrosymmetric dimers via N-H?O hydrogen bonds.

| S-EPMC2977775 | biostudies-literature

1'-Methyl-4'-(1-naphth-yl)-1'',2'',3'',4''-tetra-hydro-indane-2-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-1,3,1''-trione.

Project description:In the title compound, C(32)H(25)NO(3), the pyrrolidine ring adopts an envelope conformation, whereas the cyclo-hexa-none ring in the tetra-hydro-naphthalene fused-ring system adopts a half-chair conformation. The indanedione unit is oriented at an angle of 58.9?(1)° with respect to the naphthyl ring system. Three intra-molecular C-H?O close contacts and an intra-molecular C-H?? inter-action are observed. In the crystal, mol-ecules associate via C-H?O hydrogen bonds, forming a helical chain with a C(10) motif along the b axis.

| S-EPMC3052033 | biostudies-literature

3''-(2-Fluoro-benzyl-idene)-4'-(2-fluoro-phen-yl)-1'-methyl-dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',1''-cyclo-penta-ne]-2,2''-dione.

Project description:In the title compound, C(33)H(25)F(2)NO(2), the acenaphthene ring system forms dihedral angles of 50.93?(14) and 36.89?(14)° with the benzene rings. The pyrrolidine and cyclo-penta-none rings adopt envelope (with the N atom as the flap) and twisted conformations, respectively. In the crystal, C-H?O and C-H?F inter-actions link the mol-ecules.

| S-EPMC3569782 | biostudies-literature

Crystal structure of 5''-(4-chloro-benzyl-idene)-4'-(4-chloro-phen-yl)-1'-methyltri-spiro[acenapthylene-1,2'-pyrrolidine-3',1''-cyclo-hexane-3'',2'''-[1,3]dioxane]-2(1H),6''-dione.

Project description:In the title compound, C36H29Cl2NO4, two spiro links connect the methyl-substituted pyrrolidine ring to the ace-naphthyl-ene and cyclo-hexa-none rings. The cyclo-hexa-none ring is further connected to the dioxalane ring by a third spiro junction. The five-membered ring of the ace-naphthylen-1-one ring system adopts a flattened envelope conformation, with the ketonic C atom as the flap, whereas the dioxalane and pyrrolidine rings each have a twist conformation. The cyclo-hexenone ring assumes a boat conformation. An intra-molecular C-H?O hydrogen-bond inter-action is present. In the crystal, mol-ecules are linked by non-classical C-H?O hydrogen bonds, forming chains extending parallel to the a axis.

| S-EPMC4645075 | biostudies-literature

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