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2-(4-Methyl-pyridin-2-yl)-4',4',6',6'-tetra-kis-(pyrrolidin-1-yl)-1H,2H-spiro-[naphtho-[1,2-e][1,3,2]oxaza-phosphinine-3,2'-[1,3,5,2,4,6]tri-aza-triphosphinine].

ABSTRACT: In the title spiro-phosphazene derivative, C33H46N9OP3, the phosphazene and six-membered N/O rings are in flattened chair and twisted-boat conformations, respectively. The naphthalene ring system and the pyridine ring are oriented at a dihedral angle of 41.82?(4)°. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules related by translation along the a axis into chains. C-H?? inter-actions aggregate these chains into layers parallel to the ab plane.

SUBMITTER: Is?klan M

PROVIDER: S-EPMC3685126 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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2-(4-Methyl-pyridin-2-yl)-4',4',6',6'-tetra-kis-(pyrrolidin-1-yl)-1H,2H-spiro-[naphtho-[1,2-e][1,3,2]oxaza-phosphinine-3,2'-[1,3,5,2,4,6]tri-aza-triphosphinine].

Işıklan Muhammet M Sonkaya Omer O Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20130531 Pt 6

In the title spiro-phosphazene derivative, C33H46N9OP3, the phosphazene and six-membered N/O rings are in flattened chair and twisted-boat conformations, respectively. The naphthalene ring system and the pyridine ring are oriented at a dihedral angle of 41.82 (4)°. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules related by translation along the a axis into chains. C-H⋯π inter-actions aggregate these chains into layers parallel to the ab plane. ...[more]

PMID: 23795145

Similar Datasets

4',4',6',6'-Tetra-chloro-2-(6-methyl-pyridin-2-yl)-1H,2H-spiro-[naphtho-[1,2-e][1,3,2]oxaza-phosphinine-3,2'-[1,3,5,2,4,6]tri-aza-triphosphinine].

Project description:The title compound, C17H14Cl4N5OP3, is a spiro-phosphazene derivative with bulky naphthalene and pyridine rings. The phosphazene and the six-membered N/O rings are in flattened-boat and twisted-boat conformations, respectively. The naphthalene ring system and the pyridine ring are oriented at a dihedral angle of 18.06?(8)°. In the crystal, weak ?-? stacking between the pyridine rings and between the pyridine rings and the naphthalene ring system [centroid-centroid distances = 3.594?(2) and 3.961?(2)?Å, respectively] occur. Weak C-H?? inter-actions are also observed. These interactions link the molecules into a three-dimensional supramolecular network.

| S-EPMC3685025 | biostudies-literature

1,1',4,5-Tetra-hydro-tri-spiro-[1,3,2-di-aza-phosphole-2,2'-[1,3,5,2,4,6]tri-aza-triphosphinine-4',6''-dibenzo[d,f][1,3,2]dioxaphosphepine-6',6'''-dibenzo[d,f][1,3,2]dioxaphosphepine] acetone monosolvate.

Project description:The title compound, C26H22N5O4P3·C3H6O, has been achieved in a two-step synthesis that does not require chromatography. This mol-ecule contains a seven-membered spiro-cyclic ring at two P-atom positions and a five-membered ring containing new P-N bonds at the other P-atom position. Endocyclic torsion angles about the central biphenyl C-C bonds are -41.5?(3) and -44.4?(3)°, and P-N bonds of the central P3N3 ring are within the range 1.5665?(17)-1.6171?(17)?Å, while the P-O distances are in the range 1.5940?(14)-1.6041?(14)?Å. One N-H group makes an inter-molecular N-H?N hydrogen bond, forming centrosymmetric dimers, while the other N-H group makes an N-H?O hydrogen bond to the acetone solvent mol-ecule. The crystal was a two-component non-merohedral twin with ratio 0.811/0.189.

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3'-(4-Chloro-benzo-yl)-4'-(4-chloro-phen-yl)-1'-methyl-spiro-[indoline-3,2'-pyrrolidin]-2-one.

Project description:In the title compound, C(25)H(20)Cl(2)N(2)O(2), the pyrrolidine ring adopts an envelope conformation and the best plane through the five ring atoms makes a dihedral angle of 87.03?(8)° with the indoline ring. Mol-ecules are connected by pairs of N-H?O hydrogen bonds into centrosymmetric dimers with an R(2) (2)(8) graph-set ring motif. C-H?O hydrogen bonds stabilize the crystal structure.

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2-(4-Meth-oxy-phen-yl)-4H-1,3,2-benzoxathia-phosphinine 2-sulfide.

Project description:The asymmetric unit of the title compound, C(14)H(13)O(2)PS(2), contains two crystallographically independent mol-ecules, which differ in the conformation of the 1,3,2-benzoxathia-phosphinine moieties (screw boat in the first mol-ecule and envelope in the second mol-ecule). In the crystal, neither classical nor non-classical hydrogen bonds are found. Weak inter-actions (about 2.9-3.0?Å) between the lone pair of the terminal S atoms with H atoms occur. This compound was further characterized by (1)H NMR and IR spectroscopy.

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3'-Hy-droxy-methyl-1'-methyl-3'-nitro-4'-(o-tol-yl)spiro-[indoline-3,2'-pyrrolidin]-2-one.

Project description:The title compound, C(20)H(21)N(3)O(4), crystallizes with two mol-ecules in the asymmetric unit. In both mol-ecules, the pyrrolidine ring adopts an envelope conformation. The crystal structure is stabilized by inter-molecular C-H?O, N-H?O and O-H?O hydrogen bonds.

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2-(4-Chloro-phen-yl)naphtho-[1,8-de][1,3,2]diaza-borinane.

Project description:The title compound, C(16)H(12)BClN(2), is one in a series of diaza-borinanes, derived from 1,8-diaminona-phthalene, featuring substitution at the 1, 2 and 3 positions in the nitro-gen-boron heterocycle. The structure deviates from planarity, the torsion angle subtended by the p-chloro-phenyl ring relative to the nitro-gen-boron heterocycle being -44-.3(3)°. The mol-ecules form infinite chains with strong inter-actions between the vacant pz orbital of the B atom and the ?-system of an adjacent mol-ecule. The distance between the B atom and the 10-atom centroid of an adjacent naphthalene ring is 3.381?(4)?Å. One N-H H atom is weakly hydrogen bonded to the Cl atom of an adjacent mol-ecule. This combination of inter-molecular inter-actions leads to the formation of an infinite two-dimensional network perpendic-ular to the c axis.

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Crystal structure of hexa-methyl 4,4',4'',4''',4'''',4'''''-[(1,3,5,2?5,4?5,6?5-tri-aza-triphosphinine-2,2,4,4,6,6-hexa-yl)hexa-kis-(-oxy)]hexa-benzoate.

Project description:The title compound, C48H42N3O18P3, achieved in a two-step synthesis, comprises a cyclo-triphosphazene core and six 4-meth-oxy-carbonyl-phen-oxy groups. Each P atom is attached to two substituents located up and down with respect to the plane of the phosphazene ring, the central P3N3 ring having a twist-boat conformation. The three O/P/O planes and five of the six benzene rings are nearly perpendicular to the mean plane through the phosphazene ring [dihedral angles = 82.98?(8)-88.92?(8)°], while the remaining benzene ring forms a dihedral angle of 25.72?(7)°. The crystal packing is stabilized by van der Waals inter-actions only.

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Crystal structure of hexa-prop-2-en-1-yl 4,4',4'',4''',4'''',4'''''-[1,3,5,2λ(5),4λ(5),6λ(5)-tri-aza-triphosphinine-2,2,4,4,6,6-hexa-yl-hexa-kis-(-oxy)]hexa-benzoate.

Project description:In the title compound, C60H54N3O18P3, the central phosphazene ring is essentially planar, with an r.m.s. deviation of the six fitted atoms of 0.068 Å. The P-N bond lengths are within the narrow range 1.575 (2)-1.585 (2) Å, indicating the electrons are delocalized within the ring. The two ethenyl benzoate substituents on each P atom are located up and down with respect to the plane of the central P3N3 ring. The atoms of two terminal propenyl groups are disordered over two sets of sites, with refined site-occupancy ratios of 0.249 (12):0.751 (12) and 0.476 (9):0.524 (9). No intermolecular interactions are observed.

| S-EPMC4719920 | biostudies-literature

2-[4-(Methyl-sulfan-yl)phen-yl]naphtho[1,8-de][1,3,2]diaza-borinane.

Project description:The title compound, C(17)H(15)BN(2)S, is one member in a series of diaza-borinanes featuring substitution at the 1-, 2- and 3-positions in the nitro-gen-boron heterocycle. The dihedral angle between the mean planes of the naphthalene and phenyl ring systems is 19.86?(6)°. In the crystal structure, two C-H?? inter-actions link the mol-ecules into sheets which lie parallel to the bc plane. There is a ?-? inter-action between each pair of centrosymmetrically related sheets [centroid-centroid distance = 3.5922?(8)?Å].

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2-Phenyl-naphtho-[1,8-de][1,3,2]diaza-borinane.

Project description:The title compound, C(16)H(13)BN(2), is one compound in a series of diaza-borinanes featuring substitution at the 1, 2 and 3 positions in the nitro-gen-boron heterocycle. The title compound is slightly distorted from planarity, with a dihedral angle of 9.0?(5)° between the mean planes of the naphthalene system and the benzene ring. The m-carbon atom of the benzene ring exhibits the greatest deviation of 0.164?(2)?Å from the 19-atom mean plane defined by all non-H atoms. The two N-B-C-C torsion angles are 6.0?(3) and 5.6?(3)°. In the crystal, mol-ecules are linked by ?-? inter-actions into columns, with a distance of 3.92?(3)?Å between the naphthalene ring centroids. Adjacent ?-stacked columns, co-linear with the b-axis, are linked by C-H?? inter-actions.

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