5-Acetyl[2.2]paracyclophane

The title compound 5-acetyltricyclo[8.2.2.24,7]hexa-deca-4,6,10,12,13,15-hexaene, C18H18O,is the first example of a mono-π-substituted [2.2]paracyclophane to be structurally characterized. The average bending angles are α = 13.2 and β = 9.9°. The distance between the \u27bottoms\u27 of the practically parallel boat-like benzene nuclei is 3.098(2) Å. The π conjugation between the acetyl group and the substituted benzene cycle is negligible (rotation angle ca 45°) because of steric hindrance

Structure of 3-(3,5-Dimethylpiperidino)-\u3cem\u3eN\u3c/em\u3e-(\u3cem\u3ep\u3c/em\u3e-Chlorophenyl)Succinimide

In the title molecule, 3-(3,5-dimethylpiperidino )-1-(4-chlorophenyl)-2,5-pyrrolidinedione (1), the N-(p-chlorophenyl) substituent is rotated by 68.8° relative to the succinimide plane. The piperidinyl ring has a chair conformation with all substituents in equatorial positions; the conformation around the piperidino-succinimide C--N bond is staggered

Structure of (22\u3cem\u3eS\u3c/em\u3e)-3\u3cem\u3eβ\u3c/em\u3e-Acetoxy-20-(3-isopropylisoxazolin-5-yl)-4,4,14 \u3cem\u3eα\u3c/em\u3e-trimethylpregn-8(9)-ene

C32H51NO3, Mr = 497·7, orthorhombic, P212121, a = 7·577 (2), b = 10·510 (2), c = 35·399 (7) Å, V = 2819 (1) Å3, Z = 4, Dx = 1·173 g cm-3, λ (Mo Kα) = 0·71073 Å, μ = 0·69 cm-1, F(000) = 1096, T = 153 K, R = 0·0497 for 2235 observed reflections. The compound investigated is found to be a (22S)-epimer

Structure of 2-Methyl-5,6,7-triphenyl-6,7-dihydropyrazolo[2,3-\u3cem\u3ea\u3c/em\u3e]pyrimidine

C25H21N3, Mr = 363.46, monoclinic, P21/n, a = 9.245 (2), b = 23.502 (5), c = 9.340 (2) Å, β= 103.50(3)°, V=1973.3(2) Å3, Z=4, Dx= 1.220 (2) g cm-3, λ (Mo Kα )= 0.71069 Å, μ = 0.068 cm-1, F(000) = 768, T= 292 K, R = 0.091 for 1442 unique observed reflections. The dihydropyrimidine ring adopts a distorted sofa conformation. The aryl substituents on the saturated C atoms have an axial orientation

\u3cem\u3eβ\u3c/em\u3e-Homopipitzolone

The structure of β-homopipitzolone (one of the two isomers of an intermediate product in the homocedrole synthesis) has been unequivocally established as 1 O-hydroxy-2,6,9-trimetbyltricyclo[6.3.1.01,6] dodeca-9-ene-5, II, 12-trione with relative IR,2R,6R,8S configuration

Macrobicyclic d-Metal Tris-Dioximates Obtained by Cross-linking with p-Block Elements. XV. Crystal and Molecular Structures of Two Macrobiocyclic Tin-containing Cobalt(III) Tris-Dioximates

The structure of the tin-containing clathrochelates cyclohexadione-1,2-dioximate (NBu4)[CoNx3 (SnCl3)2] (A) and dimethylglioximate (NBu4)[CoDm3(SnBr3)2]·H2O (B) have been determined by X-ray methods. Crystal data: (A) is orthorhombic, space group P212121 a = 16.566(4), b = 16.551(4), c = 16.560(4)Å, Z = 4; (B) is orthorhombic, space group Pca21, a = 16.271(3), b = 15.337(3), c = 18.572(4)Å, Z = 4. The cobalt(III) atoms are encapsulated by the clathrochelate ligands and surrounded by a distorted octahedral coordination polyhedron

Macrobicyclic D-Metal Tris-Dioximates Obtained by Cross-Linking With P-Block Elements Part IV. Crystalline and Molecular Structure Of An Iron(II) Complex With Macrobicyclic Fluoroborate-Containing Tris-Diphenylglyoximate Ligand And Its Mössbauer

Hexagonal FeBd3(BF)2·5CHCl3 single crystals (space group P63, a=14.975(2), c=16.301(3) Å, V=3166(1) Å3, Z=2) have been obtained by recrystallizing a preliminarily synthesized clathrochelate diphenyl- glyoximate complex. The iron atom is encapsulated by the macrobicyclic ligand and surrounded by a distorted trigonal prismatic coordination consisting of six nitrogen atoms. The distortion angle value found experimentally (c. 29.3°) is close to that estimated earlier from Mössbauer parameters (27–30°). The FeN bond length (1.91(2) Å) is characteristic of clathrochelate boron-containing iron(II) dioximates and is determined by the superposition of the contributions of metal eletron configuration and ligand geometry

Molecular Structure of 4,15-Dibromo[2.2]Paracyclophane

An x-ray structural study has shown that the nature of the steric distortions in [2,2]paracyclophane remains practically unchanged when Br-substituents are introduced into positions 4 and 15

Crystal and Molecular Structure of 1,1-bis(hydroxyphenyl)-3-ketoisoindoline

The structure of the condensation product of phthalonitrile and phenol is found by x-ray structure analysis. The structure of a new class of polyheteroarylenes, polhydroxyphenylisoindazenes, is defined using the data obtained