Spectral analysis and crystal structure of two substituted spiro acenaphthene structures

The crystal structure of spiro[2.2"]acenaphthene-1"-onespiro[3.3']-5'-(2-bromophenylmethylidene)-1'-methylpiperidin-4'-one-4-(2-bromophenyl)octahydroindolizine (Ia) and spiro[2.2"]acenaphthene-1"-onespiro[3.3']-5'-(4-bromophenylmethylidene)-1'-methylpiperidin-4'-one-4-(4-bromophenyl)octahydroindolizine (Ib) were elucidated  by single crystal X ray diffraction. Compound (Ia), C37H32Br2N2O2, crystallizes in the Orthorombic  system, space group  P212121 with a = 9.6989(5) Å, b = 16.3615(9) Å, c = 19.8997(11) Å and Z = 4. Compound (Ib), having the same molecular formula, crystallizes in the monoclinic system, space group P 21/n with a = 8.3169(5) Å, b = 16.9397(9) Å, c= 22.2466(13) Å, β = 96.943(3)° and Z = 4. The central piperidine ring adopts twisted conformation, the piperidine of octahydroindolizine ring is in half chair conformation and the pyrrole ring is in twisted envelope conformation in both the compounds (Ia) and (Ib). Details of the preparation, NMR and crystal structure determination and intra- and inter- molecular interactions of the compounds are given

7′-(Naphthalen-1-yl)-5′′-[(naphthalen-2-yl)­methyl­idene]-1′,3′,5′,6′,7′,7a′-hexa­hydro­dispiro­[acenaphthene-1,5′-pyrrolo­[1,2-c]thia­zole-6′,3′′-piperidine]-2(1H),4′′-dione

In the title compound, C43H34N2O2S, the six-membered piperidine ring adopts a half-chair conformation. The five-membered thia­zole ring adopts a slightly twisted envelope conformation and the pyrrole ring adopts an envelope conformation; in each case, the C atom linking the rings is the flap atom. The mol­ecular structure features inter- and intra­molecular C—H⋯O inter­actions. Furthermore, the crystal packing is stabilized by four inter­molecular C—H⋯π inter­actions

5′′-(4-Meth­oxy­benzyl­idene)-7′-(4-meth­oxy­phen­yl)-1′′-methyl-5′,6′,7′,7a’-tetra­hydro­dispiro­[acenaphthene-1,5′-pyrrolo­[1,2-c][1,3]thia­zole-6′,3′′-piperidine]-2,4′′-dione

In the title compound, C37H34N2O4S, the piperidine ring adopts a half-chair conformation. The thia­zole ring adopts a slightly twisted envelope conformation and the pyrrole ring adopts an envelope conformation; in each case, the C atom linking the rings is the flap atom. An intra­molecular C—H⋯O inter­action is noted. The crystal structure is stabilized by C—H⋯O and C—H⋯π inter­actions

Crystal structure of 5-benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile

In the title compound, C24H17NO2, the carbonyl O atom of the benzoyl group is cis with respect to the furanyl O atom, and the associated O—C—C—O torsion angle is 4.62 (19)°. The puckering of the dihydrofuran ring is close to twisted (4T5), with parameters Q = 0.1856 (16) Å and φ = 313.5 (5)°. Molecules are interconnected via a C—H...N and a C—H...O hydrogen bond, leading to layers parallel to the (200) plane and characterized by R44(28) and R44(36) graph-set motifs. The furan O atom does not participate in intermolecular hydrogen bonding. The crystal lattice encompasses a solvent-accessible void of 24.7 (8) Å3

5′′-(2,4-Dichlorobenzylidene)-1′-(2,4-dichlorophenyl)-1′′-methyl-1′,2′,3′,5′,6′,7′,8′,8a'-octahydrodispiro[acenaphthylene-1,3′-indolizine-2′,3′′-piperidine]-2,4′′(1H)-dione

In the title compound, C37H30Cl4N2O2, the pyridinone ring adopts a twisted half-chair conformation. In the octahydroindolizine fused-ring system, the piperidine ring is in a chair conformation and the pyrrole ring is twisted about the C—N bond linking the five- and six-membered rings. The molecular structure features an intramolecular C—H...O interaction and the crystal packing is stabilized by C—H...π interactions

5-Amino-6-benzoyl-8-nitro-2,3-dihydro-1H-spiro[imidazo[1,2-a]pyridine-7,3′-indolin]-2′-one dimethyl sulfoxide monosolvate

In the title compound C21H17N5O4·C2H6OS, the central six-membered ring derived from 1,4-dihydropyridine adopts a distorted boat conformation with a small puckering amplitude of 0.127 (3) Å. The sums of bond angles around the pyridine N atom [358.7 (2)°] and the other imidazolidine N atom [60 (2)°] indicate that these atoms are in sp2 hybridization, leading to an essentially planar imidazolidine ring. The last heterocycle, an oxindole moiety, is also nearly planar with an r.m.s. deviation of 0.0185 (1) Å. The amine NH2 group forms an intramolecular hydrogen bond with the benzoyl group, giving a S(6) motif. In the crystal, N—H...O hydrogen bonds lead to the formation of chains along the c-axis direction. Within the chains there are further N—H...O and C—H...O hydrogen bonds enclosing R22(14) ring motifs. The chains are linked via N—H...O and C—H...O hydrogen bonds involving the dimethyl sulfoxide solvent molecule which acts as both an acceptor and a donor.

Crystal structure of 5-amino-5′-chloro-6-(4-chlorobenzoyl)-8-nitro-2,3-dihydro-1H-spiro[imidazo[1,2-a]pyridine-7,3′-indolin]-2′-one including an unknown solvent molecule

The asymmetric unit of the title compound, C21H15Cl2N5O4, contains two independent molecules (A and B) having similar conformations. The amine (NH2) group forms an intramolecular hydrogen bond with the benzoyl group, giving an S(6) ring motif in both molecules. The central six-membered rings adopt sofa conformations and the imidazole rings are planar (r.m.s deviations = 0.0150 and 0.0166 Å). The pyridine and imidazole rings are inclined to one another by 3.54 (1) and 3.03 (1)° in molecules A and B, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a axis which enclose R22(16) ring motifs. The rings are linked by weak N—H...O and C—H...O hydrogen bonds and C—H...π interactions forming sheets lying parallel to (001). A region of disordered electron density, most probably disordered solvent molecules, occupying voids of ca 753 Å3 for an electron count of 260, was treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement