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1.
Long‐Gen Zhu Arkady M. Ellern Nenad M. Kosti 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o129-o130
The crystals of the title salt, 6,21‐diaza‐3,9,18,24‐tetraazoniatricyclo[22.2.2.211,14]triaconta‐11,13,24,26(1),27,29‐hexaene benzene‐1,2,4,5‐tetracarboxylate(4?) hexahydrate, C24H42N64+·C10H2O84?·6H2O, are formed by the intermolecular interaction of a macrocyclic hexamine with a molecule of C6H2(COOH)4 in aqueous solution. Both the cation and the anion are on inversion centres. Hydrogen bonds are formed between the four ammonium cations in the hexamine and the four carboxylate anions in the aromatic acid. Stacks exist along the crystallographic a axis in the solid state. The water molecules also take part in a hydrogen‐bonding network which joins these stacks together. 相似文献
2.
Bernardo Masci Stefano Levi Mortera Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):m482-m484
In the title compound, 4,7,13,16,21,24‐hexaoxa‐1,10‐diazoniabicyclo[8.8.8]hexacosane dioxo[7,13,21,27‐tetraphenyl‐3,17‐dioxapentacyclo[23.3.1.15,9.111,15.119,23]ditriaconta‐1(29),5,7,9(30),11(31),12,14,19(32),20,22,25,27‐dodecaene‐29,30,31,32‐tetraolato]uranium dimethyl sulfoxide trisolvate, (C18H38N2O6)[U(C54H40O6)O2]·3C2H6OS, the uranyl ion is bound to the four phenoxide groups of the deprotonated p‐phenyltetrahomodioxacalix[4]arene ligand in a cone conformation, resulting in a dianionic complex. The diprotonated [2.2.2]cryptand counter‐ion is located in the cavity defined by the eight aromatic rings of the homooxacalixarene, where it is held by cation–anion, cation–π and possibly C—H⋯π interactions. Dimerization in the packing leads to the formation of sandwich assemblages in which two diprotonated [2.2.2]cryptands are encompassed by two uranyl complexes. 相似文献
3.
Pierre Thury Martine Nierlich Jacques Vicens Bernardo Masci 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):833-834
The title compound, 7,13,21,27‐tetramethyl‐3,17‐dioxapentacyclo[23.3.1.15,9.111,15.19,23]ditriaconta‐1(29),5,7,9(30),11(31),‐12,14,19(32),20,22,25,27‐dodecaene‐29,30,31,32‐tetraol, C34H36O6, assumes in the solid state a very distorted cone‐like conformation stabilized by intramolecular simple and bifurcated hydrogen bonds involving both phenolic and ether O atoms. One part of the molecule, comprising an ether link, is included in the cavity of an adjacent calixarene related by a screw axis, giving rise to a one‐dimensional self‐inclusion polymer. 相似文献
4.
Christoph Hollmann Markus Schürmann Hans Preut Peter Eilbracht 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):e215-e215
The title compound, C16H26O2, (I), prepared by oxidation of (1R*,11R*)‐12‐hydroxybicyclo[9.4.1]hexadecan‐16‐one using pyridinium dichromate, has a trans configuration of the two fused rings and represents an interesting precursor for the synthesis of macrocyclic structures. 相似文献
5.
Shin‐ichiro Isobe Kanji Kubo Thies Thiemann Tsuyoshi Sawada Tadashi Yonemitsu Shuntaro Mataka 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1367-1368
In the title compound, pentacyclo[11.8.1.13,11.07,23.015,20]tricosa‐3,5,7,9,11(23),15,17,19‐octaen‐22‐one, C23H20O, the bicyclo[5.4.1]dodecan‐12‐one moiety takes a rigid conformation in which the seven‐ and eight‐membered rings take chair and boat–boat forms, respectively. The molecule has a non‐crystallographic mirror symmetry perpendicular to the benzene and naphthalene planes. 相似文献
6.
Xue Li Jian‐Min Dou Ying Liu Lan‐Ying Zhu Pei‐Ju Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1185-1187
The novel PtII–dibenzo‐18‐crown‐6 (DB18C6) title complex, μ‐[tetrakis(thiocyanato‐S)platinum(II)]‐N:N′‐bis{[2,5,8,15,18,21‐hexaoxatricyclo[20.4.0.19,14]hexacosa‐1(22),9(14),10,12,23,25‐hexaene‐κ6O]potassium(I)}, [K(C20H24O6)]2[Pt(SCN)4], has been isolated and characterized by X‐ray diffraction analysis. The structure analysis shows that the complex displays a quasi‐one‐dimensional infinite chain of two [K(DB18C6)]+ complex cations and a [Pt(SCN)4]2? anion, bridged by K+?π interactions between adjacent [K(DB18C6)]+ units. 相似文献
7.
Brendan J. O'Keefe Peter J. Steel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1440-1441
The title complex, tetra‐μ‐acetato‐O:O′‐bis{[μ‐1,4‐bis(2‐pyridyloxy)phenylene‐N,C2:N′,C6]dipalladium(II)} bis(trichloromethane) dihydrate, [Pd4(C16H10N2O2)2(C2H3O2)4]·2CHCl3·2H2O, the product of the reaction of 1,4‐bis(2‐pyridyloxy)benzene with palladium acetate, is shown to be a tetranuclear, rather than a polymeric, species. It crystallizes about a centre of inversion and has two doubly cyclopalladated ligands bridged by four acetate groups. The cyclopalladated ligand is far from planar in the complex and has the central benzene rings π‐stacked. The chelate rings exist in shallow boat conformations. 相似文献
8.
Peter G. Jones Ludger Ernst Ina Dix Lars Wittkowski 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):239-241
The [2.2]paracyclophane groups of the title compounds, chiral and meso‐bis(tricyclo[8.2.2.24,7]hexadeca‐4,6,10,12,13,15‐hexaen‐5‐yl)methane (the former as a racemate), C33H32, and meso‐bis(tricyclo[8.2.2.24,7]hexadeca‐4,6,10,12,13,15‐hexaen‐5‐yl) sulfide, C32H30S, show the characteristic structural features of the parent compound [2.2]paracyclophane and the related compound dimethylbis([2.2]paracyclophan‐4‐yl)silane, C34H36Si: the aromatic rings are puckered, resulting in a boat conformation. The planes of the four coplanar C atoms are slightly twisted with respect to each other. The Csp3—Csp3 bond lengths of the ethylene bridges are elongated by the electronic and steric effects of the skeleton. 相似文献
9.
J. Zukerman‐Schpector I. Caracelli Mauricio Vega Mauricio Gomes Constantino Adilson Beatriz Gil Valdo Da Silva 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):646-648
In both 9,10‐dimethoxy‐11‐oxatricyclo[6.2.1.02,7]undeca‐4,9‐diene‐3,6‐diol, C12H16O5, (I), and 5,6‐dimethoxy‐3,7‐dioxatetracyclo[6.4.0.02,6.04,12]dodec‐9‐en‐11‐ol, C12H16O5, (II), the hetero‐oxygen‐containing five‐membered rings have an envelope conformation. The six‐membered rings are in a boat conformation in compound (I), and in (II), one is in a half‐boat and the other is in a slightly distorted boat conformation. The molecules in both compounds interact through classical hydrogen bonds and C—H?O contacts. 相似文献
10.
Samuel Sakwa Kraig A. Wheeler 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o332-o334
The title compounds, bis(ammonium) naphthalene‐1,5‐disulfonate, 2NH4+·C10H6O6S22−, and bis[1‐(hydroxymethyl)‐3,5,7‐triaza‐1‐azoniatricyclo[3.3.1.13,7]decane] 1,5‐naphthalenedisulfonate, 2C7H15N4O+·C10H6O6S22−, were prepared from the acid‐promoted reaction of hexamethylenetetramine. In both structures, the disulfonate anion is positioned on an inversion center, with each sulfonate group contributing to the supramolecular assemblies via hydrogen bonds. The ammonium cations are linked to sulfonate groups by four distinct N+—H⃛−O—S contacts [N⃛O = 2.846 (2)–2.898 (2) Å and N—H⃛O = 160 (2)–175 (2)°], whereas the 1‐(hydroxymethyl)‐3,5,7‐triaza‐1‐azoniatricyclo[3.3.1.13,7]decane cations form one O—H⃛−O—S [O⃛O = 2.628 (2) Å and O—H⃛O = 176°] and three C—H⃛−O—S [C⃛O = 3.359 (2)–3.380 (2) Å and C—H⃛O = 148–155°] interactions to neighboring sulfonate groups. 相似文献
11.
Pierre Thuéry Martine Nierlich Jacques Vicens Bernardo Masci 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(1):70-71
The title compound, 7,13,21,27-tetra-tert-butyl-3,17-dioxapentacyclo[23.3.1.15,9.111,15.19,23]ditriaconta-1(29),5,7,9(30),11(31),12,14,19(32),20,22,25,27-dodecaene-29,30,31,32-tetraol, crystallizes as a solvate with one molecule of chloroform and one molecule of tetrahydrofuran, C46H60O6·CHCl3·C4H8O. The calixarene assumes a cone-like conformation stabilized by intramolecular hydrogen bonds involving both phenolic and ether O atoms. The two solvent molecules are located in each of the two half-cone cavities of the calixarene. 相似文献
12.
Mustafa OdabasÛoglu igdem Albayrak Orhan Büyükgüngr Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o616-o619
The title compounds, 2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C11H15NO4, (I), 6‐hydroxy‐2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C11H15NO5, (II), and 6‐methoxy‐2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C12H17NO5, (III), adopt the keto–amine tautomeric form, with the formal hydroxy H atom located on the N atom, and the NH group and oxo O atom display a strong intramolecular N—H⋯O hydrogen bond. The N—H⋯O hydrogen‐bonded rings are almost planar and coupled with the cyclohexadiene rings. The carbonyl O atoms accept two other H atoms from the alcohol groups of adjacent molecules in (I), and one from the alcohol and one from the phenol group in (II), but from only one alcohol H atom in (III). 相似文献
13.
Xiaoming Liu Colin A. Kilner Malcolm A. Halcrow 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o218-o219
The title compound, 5‐methoxyspiro[tetracyclo[8.8.1.03,8.012,17]nonadeca‐3,5,7,12,14,16‐hexene‐19,2′‐[1,3]dioxolane], C22H24O3, exhibits a twin‐chair conformation with the aromatic rings overlying each other. Comparison of the dihedral angle between these two rings with those from previously reported [3.3]orthocyclophanes of this type suggests the presence of a weak attractive charge‐transfer interaction between the two, different, stacked arenes. 相似文献
14.
M. L. Rodríguez M. Febles C. Prez N. Prez‐Hernndez J. D. Martín C. Foces‐Foces 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o138-o142
In the hydrogen‐bonding networks of 8‐hydroxy‐5‐hydroxymethyl‐3,6‐dioxatricyclo[6.3.1.01.5]dodecan‐2‐one and 5,7‐bis(hydroxymethyl)‐3,6‐dioxatricyclo[5.3.1.01.5]undecan‐2‐one, both C11H16O5, layers and double strands, respectively, lead to the formation of chains connected by hydroxy‐to‐hydroxy contacts, where the hydroxymethyl group, present in both structures, acts as a donor. The secondary structures differ in the hydrogen bonding of these chains via the second hydroxy group, which is involved in hydroxy‐to‐carbonyl and hydroxy‐to‐hydroxy bonds, respectively. 相似文献
15.
Smriti Khera Michael D. Carducci Jian‐Qiao Gu Barbara N. Timmermann 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o773-o775
The structure of an iridolactone isolated from Valeriana laxiflora was established as (4R,4aR,6S,7S,7aS)‐6‐hydroxy‐7‐hydroxymethyl‐4‐methylperhydrocyclopenta[c]pyran‐1‐one chloroform solvate, C10H16O4·CHCl3. The two rings are cis‐fused. The δ‐lactone ring adopts a slightly twisted half‐chair conformation with approximate planarity of the lactone group and the cyclopentane ring adopts an envelope conformation. The hydroxy group, the hydroxymethyl group and the methyl group all have β orientations. The absolute configuration was determined using anomalous dispersion data enhanced by the adventitious inclusion of a chloroform solvent molecule. Hydrogen bonding, crystal packing and ring conformations are discussed in detail. 相似文献
16.
Boris B. Averkiev Tatiana V. Timofeeva Aleksey B. Sheremetev Elena V. Shatunova Mikhail Yu. Antipin 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o520-o523
The novel title furazan‐containing macrocycle (systematic name: 6,9,14,17‐tetraoxa‐2,3,5,7,16,18‐hexaazatricyclo[13.3.0.04,8]octadeca‐4,7,15,18‐tetraene), C8H10N6O4, (I), is the first macrocycle where the furazan rings are connected via a hydrazine group. In spite of the strain in the 12‐membered macrocycle of (I), the geometry of the furazan fragment is the same in (I) and in its acyclic analogue 1,8‐bis(5‐aminofurazan‐4‐yloxy)‐3,6‐dioxaoctane, C10H16N6O6, (II). In both compounds, the participation of the furazan rings in intermolecular hydrogen bonding equalizes the N—O bonds within the furazan rings, in contrast with rings which do not participate in such interactions. 相似文献
17.
Muharrem Diner Namk
zdemir brahim Ylmaz Alaaddin ukuroval Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o674-o676
In the title compound, C17H20N2O3, the cyclobutane ring is puckered, with a dihedral angle of 19.11 (15)°. The 1‐phenyl and 3‐[1‐hydroxyimino‐2‐(succinimido)ethyl] groups are in cis positions. The molecules are linked by O—H⋯O and C—H⋯π(benzene) interactions, forming a two‐dimensional network. 相似文献
18.
Pierre Thury Zouhair Asfari Martine Nierlich Jacques Vicens 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o223-o225
Two complexes between mono‐deprotonated calix[4]arene and Et3HN+ are reported. The first, triethylammonium 26,27,28‐trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa‐1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23‐dodecaen‐25‐olate, C6H16N+·C28H23O4?, comprises only the cationic and anionic species, whereas the second, tris(triethylammonium) tris[26,27,28‐trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa‐1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23‐dodecaen‐25‐olate] acetonitrile solvate, 3C6H16N+·3C28H23O4?·C2H3N, comprises one acetonitrile solvent molecule for three such units. In both cases, the units are stacked in columns so that the ammonium cation is hydrogen bonded to a phenolic or phenolate O atom of one molecule and included in the hydrophobic cavity of another neighbouring calixarene. The short contacts present indicate that cation?π and C—H?π interactions are likely to be involved in the inclusion phenomena. 相似文献
19.
Jianping Zhao Ilias Muhammad D. Chuck Dunbar Ikhlas A. Khan Nikolaus H. Fischer Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o195-o198
A low‐temperature structure of ginkgolide A monohydrate, (1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS)‐3‐(1,1‐dimethylethyl)‐hexahydro‐4,7b‐dihydroxy‐8‐methyl‐9H‐1,7a‐epoxymethano‐1H,6aH‐cyclopenta[c]furo[2,3‐b]furo[3′,2′:3,4]cyclopenta[1,2‐d]furan‐5,9,12(4H)‐trione monohydrate, C20H24O9·H2O, obtained from Mo Kα data, is a factor of three more precise than the previous room‐temperature determination. A refinement of the ginkgolide A monohydrate structure with Cu Kα data has allowed the assignment of the absolute configuration of the series of compounds. Ginkgolide C sesquihydrate, (1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11S,11aR)‐3‐(1,1‐dimethylethyl)‐hexahydro‐2,4,7b,11‐tetrahydroxy‐8‐methyl‐9H‐1,7a‐epoxymethano‐1H,6aH‐cyclopenta[c]furo[2,3‐b]furo[3′,2′:3,4]cyclopenta[1,2‐d]furan‐5,9,12(4H)‐trione sesquihydrate, C20H24O11·1.5H2O, has two independent diterpene molecules, both of which exhibit intramolecular hydrogen bonding between OH groups. Ginkgolide J dihydrate, (1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS)‐3‐(1,1‐dimethylethyl)‐hexahydro‐2,4,7b‐trihydroxy‐8‐methyl‐9H‐1,7a‐epoxymethano‐1H,6aH‐cyclopenta[c]furo[2,3‐b]furo[3′,2′:3,4]cyclopenta[1,2‐d]furan‐5,9,12(4H)‐trione dihydrate, C20H24O10·2H2O, has the same basic skeleton as the other ginkgolides, with its three OH groups having the same configurations as those in ginkgolide C. The conformations of the six five‐membered rings are quite similar across ginkgolides A–C and J, except for the A and F rings of ginkgolide A. 相似文献
20.
Anthony Linden Jarosaw Romaski Grzegorz Mlosto Heinz Heimgartner 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o221-o226
Three cage‐like polycyclic compounds, viz.exo‐8‐(trifluoromethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan‐endo‐8‐ol, C12H13F3O, 5‐(trifluoromethyl)‐4‐oxahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan‐3‐ol, C12H11F3O2, and N‐[exo‐11‐(trifluoromethyl)‐endo‐11‐(trimethylsilyloxy)pentacyclo[5.4.0.02,6.03,10.05,9]undecan‐8‐ylidene]aniline methanol solvate, C21H24F3NOSi·CH4O, were obtained from the corresponding oxo derivatives by nucleophilic trifluoromethylation with (trifluoromethyl)trimethylsilane in 1,2‐dimethoxyethane solution in the presence of CsF. The crystal structures show that the addition of trifluoromethanide occurs exclusively from the exo face of the polycyclic ketones. Further examination of the crystal structures, together with that of the starting pentacyclo[5.4.0.02,6.03,10.05,9]undecane‐8,11‐dione, C11H10O2, showed that increasing substitution at the 8‐ and/or 11‐positions in the cage molecules increases the non‐bonded intramolecular C·C distances at the mouth of the cage and changes the puckering of the five‐membered rings involving the 8‐ and 11‐positions from an envelope towards a distorted half‐chair conformation. Intermolecular co‐operative O—H·O hydrogen bonds in the endo‐8‐ol compound link the molecules into tetramers. 相似文献