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6,12,18,24-Tetra-meth-oxy-4,10,16,22-tetra-kis-[(meth-oxy-carbon-yl)meth-oxy]-2,8,14,20-tetra-kis-(2-phenyl-eth-yl)resorcin[4]arene.

ABSTRACT: The title compound, C(76)H(80)O(16), is a macrocyclic structure. This novel resorcin[4]arene derivative has (meth-oxy-carbon-yl)meth-oxy 'head' groups on the upper rim. The compound has a C(2v) 'boat' geometry and there are a range of C-H?O contacts in the crystal structure.

SUBMITTER: Pansuriya PB

PROVIDER: S-EPMC3254447 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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6,12,18,24-Tetra-meth-oxy-4,10,16,22-tetra-kis-[(meth-oxy-carbon-yl)meth-oxy]-2,8,14,20-tetra-kis-(2-phenyl-eth-yl)resorcin[4]arene.

Pansuriya Pramod B PB Friedrich Holger B HB Maguire Glenn E M GE

Acta crystallographica. Section E, Structure reports online 20111210 Pt 1

The title compound, C(76)H(80)O(16), is a macrocyclic structure. This novel resorcin[4]arene derivative has (meth-oxy-carbon-yl)meth-oxy 'head' groups on the upper rim. The compound has a C(2v) 'boat' geometry and there are a range of C-H⋯O contacts in the crystal structure. ...[more]

PMID: 22259595

Similar Datasets

4,5,6,10,11,12,16,17,18,22,23,24-Dodeca-kis-[(meth-oxy-carbon-yl)meth-oxy]-2,8,14,20-tetra-pentyl-resorcin[4]arene.

Project description:The title compound, C(84)H(112)O(36), has a macrocyclic structure. It has 12 (meth-oxy-carbon-yl)meth-oxy 'head groups' in the upper rim and exhibits a flattened boat geometry. Intra-molecular C-H⋯O hydrogen bonds occur. In the crystal, inter-molecular C-H⋯O contacts occur. The 'head groups' and the pentyl 'feet' contain disordered (0.5:0.5 occupancy ratio) atoms.

| S-EPMC3238958 | biostudies-literature

4,10,16,22-Tetra-kis(2-chloro-acet-oxy)-6,12,18,24-tetra-meth-oxy-2,8,14,20-tetra-pentyl-resorcin[4]arene.

Project description:The title compound, C(60)H(76)Cl(4)O(12), has a macrocyclic structure and both the upper and lower rim have disordered atoms. There are no hydrogen bonds or ?-? stacking inter-actions in the crystal.

| S-EPMC3247323 | biostudies-literature

5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetra-kis[2-(2-chloro-ethoxy)eth-oxy]-2,8,14,20-tetra-sulfonyl-calix[4]arene.

Project description:Mol-ecules of the title compound, C(56)H(76)Cl(4)O(16)S(4), have crystallographic C(2) symmetry and adopt a 1,3-alternate conformation where the four -OCH(2)CH(2)OCH(2)CH(2)Cl groups are located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The dihedral angles between the plane (R) and the phenolic rings are 72.85?(7) and 74.57?(7)°. An unusual 24-membered macrocyclic ring is formed in the crystal structure with an array of eight intra-molecular C-H?O hydrogen bonds between the ether arm H atoms and the sulfonyl O atoms. In the supra-molecular structure, the mol-ecular components are linked into infinite zigzag one-dimensional chains by a combination of four inter-molecular C-H?O hydrogen bonds, forming R(2) (2)(13), R(2) (2)(16), R(2) (2)(21) and R(2) (2)(26) ring motifs. These chains are augmented into a wave-like two-dimensional network by weak C?O inter-actions. One tert-butyl group shows rotational disorder, and one CH(2)CH(2)Cl group is disordered over two orientations; the site-occupation factors are 0.756?(6) and 0.244?(6) for the two tert-butyl groups, and 0.808?(3) and 0.192?(3) for the two CH(2)CH(2)Cl units.

| S-EPMC2968348 | biostudies-literature

5,17-Dibromo-26,28-bis-[(meth-oxy-carbon-yl)meth-oxy]-25,27-diprop-oxy-2,8,14,20-tetra-thia-calix[4]arene.

Project description:The title thia-calix[4]arene derivative, C(36)H(34)Br(2)O(8)S(4), adopts an unusual pinched cone conformation with the prop-oxy-substituted benzene rings inclined inward [forming a dihedral angle of 33.4?(1)°] and with the brominated benzene rings bent outward, making a dihedral angle of 66.1?(1)°. In the crystal, the mol-ecules form chains along [001] via C-H?S hydrogen bonds and S?S contacts [S?S = 3.492?(3)?Å]. The chains are associated into bilayers through C-H?O hydrogen bonds, generating an R(2) (2)(10) motif.

| S-EPMC3344486 | biostudies-literature

7,11,15,28-Tetra-methyl-1,21,23,25-tetra-kis(2-phenyl-ethyl)resorcin[4]arene ethyl acetate clathrate.

Project description:The title compound, C(68)H(64)O(8)·C(4)H(8)O(2), is a new resorcin-[4]arene cavitand synthetic precursor, obtained by alkyl-ation of a previously reported resorcin[4]arene. The additional alkyl bridges significantly rigidify the structure and enforce a 'bowl' shape on the mol-ecular cavity. In the crystal structure, the mol-ecule lies on a crystallographic mirror plane, and a single ethyl acetate mol-ecule (also lying on the mirror plane) is present within the compound cavity, illustrating the host capabilities of the mol-ecule.

| S-EPMC2915052 | biostudies-literature

1,1,2,2-Tetra-kis[2,4-dichloro-6-(dieth-oxy-meth-yl)phen-oxy-meth-yl]ethene.

Project description:In the title compound, C(50)H(60)Cl(8)O(12), the mol-ecules are disordered about an inversion center located at the mid-point of the central C=C bond. These atoms show disorder and were modelled with two different orientations with site occupancies of 0.828?(3) and 0.172?(3). The dihedral angle between the two benzene rings in the asymmetric unit is 52.80?(6)°. Intramolecular C-H?O and C-H?Cl interactions occur and the crystal packing features inversion dimers linked by pairs of C-H?O bonds, generating R(2) (2)(10) loops.

| S-EPMC3470353 | biostudies-literature

4-Eth-oxy-phenyl 4-[(meth-oxy-carbon-yl)-oxy]benzoate.

Project description:In the title compound, C(17)H(16)O(6), the two benzene rings form a dihedral angle of 54.95?(10)°. Only weak inter-molecular inter-actions are present in the crystal structure, viz. C-H?O hydrogen bonds and C-H?? inter-actions involving one of the benzene rings.

| S-EPMC3011779 | biostudies-literature

5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexa-kis-(eth-oxy-carbonyl-meth-oxy)calix[6]arene acetonitrile disolvate.

Project description:In the title compound, C(90)H(120)O(18)·2CH(3)CN, the calix[6]arene has a 1,2,3-alternate conformation and possesses inversion symmetry. It crystallizes as an acetonitrile disolvate, with a half-mol-ecule of calix[6]arene and one mol-ecule of solvent in the asymmetric unit. In the crystal, the two solvent mol-ecules are enclosed in voids between the calix[6]arene mol-ecules. They form weak C-H?O hydrogen bonds involving an O atom of the lower rim substituent. The cavity of the calix[6]arene itself is enclosed by two opposite phenol rings, which are turned into the cavity due to the presence of a C-H?? inter-action. The calix[6]arene mol-ecule exhibits disorder of one substituent on its lower rim [occupancy ratio 0.897?(3):0.103?(3)].

| S-EPMC3344542 | biostudies-literature

Tetra-kis[3,5-bis-(trifluoro-meth-yl)phenyl]tin(IV).

Project description:The title mol-ecule, [Sn(C(8)H(3)F(6))(4)], lies on a twofold rotation axis with the Sn(IV) ion in a distorted tetra-hedral coordination environment. Both -CF(3) groups attached to one of the unique benzene rings are disordered over two sets of sites, with the ratios of refined occupancies being 0.719?(14):0.281?(14) and 0.63?(5):0.37?(5).

| S-EPMC2969316 | biostudies-literature

5,11,17,23-Tetra-kis(chloro-meth-yl)-25,26,27,28-tetra-propoxycalix[4]arene.

Project description:The title calix[4]arene, C(44)H(52)Cl(4)O(4), displays the 1,3-alternate conformation with crystallographically imposed twofold symmetry. Four phenolic rings of the calixarene backbone are tilted into the calix cavity, making dihedral angles of 77.42?(2) and 77.71?(2)° with the plane of the four bridging methyl-ene C atoms. Pairs of opposite aromatic rings make dihedral angles of 25.16?(3) and 24.58?(4)° with each other. In the crystal, the calixarene mol-ecules pack with the formation of infinite columns along the b axis. The crystal packing shows a network of C-H?Cl contacts, which can be considered as non-classical hydrogen bonds.

| S-EPMC3052014 | biostudies-other

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