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1.
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
2.
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
3.
De‐Xi Yang Shu‐An Li Dong‐Feng Li Wen‐Xia Tang 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o11-o13
A novel binucleating 24‐membered macrocyclic ligand, 6,20‐bis(2‐hydroxyethyl)‐3,6,9,17,20,23‐hexazatricyclo[23.3.1.111,15]triaconta‐1(29),11(30),12,14,25,27‐hexaene (L), was synthesized and crystallized as the tetrahydrobromide salt, i.e. 6,20‐bis(2‐hydroxyethyl)‐6,20‐diaza‐3,9,17,23‐hexaazoniatricyclo[23.3.1.111,15]triaconta‐1(29),11(30),12,14,25,27‐hexaene tetrabromide tetrahydrate, C28H50N6O24+·4Br?·4H2O. A crystallographic inversion center is located in the macrocyclic cavity and the two hydroxyethyl pendants are on opposite sides of the macrocyclic plane. The benzene rings of the macrocycle are parallel to each other and a π–π‐stacking interaction exists between the benzene rings of adjacent macrocycles, which are separated by 3.791 (9) Å. An infinite intermolecular hydrogen‐bond network stabilizes the crystal. 相似文献
4.
A. Abdul Ajees M. N. Ponnuswamy S. Parthasarathy C. A. M. A. Huq 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):824-826
In the structures of the title compounds, 6,7‐dihydrodibenzo[e,g]azulen‐8(5H)‐one, C18H14O, (I), and 12,13‐dihydrobenzo[e]napth[2,1‐g]azulen‐14(11H)‐one, C22H16O, (II), the azulene group is in a boat‐envelope conformation. The structures are stabilized by weak C—H?O interactions. 相似文献
5.
Michael Bolte Alexander Degen Ernst Egert 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1338-1342
We have determined the crystal structures of bicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic anhydride, C9H8O3, (I), 1,2,3,4,7,7‐hexachlorobicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic anhydride diethyl ether solvate, C9H2Cl6O3·0.16C4H10O, (II), bicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic acid, C9H10O4, (III), 1,2,3,4,7,7‐hexachlorobicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic acid, C9H4Cl6O4, (IVa) and (IVb), and ethyl 1,2,3,4,7,7‐hexachloro‐6‐carboxybicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5‐carboxylate monohydrate, C11H8Cl6O4·H2O, (V). Compounds (I) and (II) were prepared by a standard Diels–Alder reaction from maleic anhydride and cyclopentadiene or hexachlorocyclopentadiene, respectively. The crystal‐growing processes of these compounds led to surprising results: rapid recrystallization of (I) from diethyl ether and (II) from petroleum ether gave crystals of these compounds, however, crystallization by slow evaporation techniques using common solvents yielded new compounds in which the five‐membered heterocycle has been cleaved. 相似文献
6.
Yoshinobu Inouye 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e361-e362
The reduction of (1R,8R,11R)‐3,3,11‐trimethyl‐6,6‐ethylenedioxybicyclo[6.3.0]undecan‐2‐one, C16H26O3, (I), gave exclusively an alcohol, C16H28O3, (II). The stereochemistry of the hydroxyl group in (II) was shown as R. The conformation around the eight‐membered carbocycle in (I) differs markedly from that in (II). 相似文献
7.
Masood Parvez Jehan Ara Viqar Sultana Rashida Qasim Viqar Uddin Ahmad 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):e96-e97
The crystal structure of caulerpin (dimethyl 6,13‐dihydrodibenzo[b,i]phenazine‐5,12‐dicarboxylate, C24H18N2O4), an indole alkaloid, reported in space group Cc with an acute β angle, has been redetermined in the correct space group, C2/c. The molecule has twofold crystallographic symmetry and is composed of two essentially planar indole groups fused to an eight‐membered cyclooctatetraene ring which adopts a boat conformation. The molecular dimensions are normal. The structure is stabilized by intermolecular and intramolecular interactions involving the indole N—H atom and carbonyl O atom [N?O 3.211 (4) and 2.836 (4) Å]. 相似文献
8.
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
9.
J. Zukerman‐Schpector Mauricio Vega I. Caracelli Luiz C. Dias Anna M. A. P. Fernandes 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1089-1091
In 6‐methyl‐N‐(4‐nitrobenzoyl)‐5,6‐dihydropyridin‐2(1H)‐one, C13H12N2O4, (I), the piperidone ring is in a distorted half‐chair conformation. In 8‐methoxy‐3‐methyl‐N‐(4‐nitrobenzoyl)‐1,2,3,4,5,6,7,8‐octahydroisoquinoline‐1,6‐dione, C18H20N2O6, (II), the heterocyclic ring is in a slightly distorted half‐boat conformation, while the other six‐membered ring is in a distorted chair conformation. Compound (II) presents a strong intramolecular C—H?O hydrogen bond. In both (I) and (II), the molecules interact through C—H?O interactions. 相似文献
10.
Jonglin F. Tsao Sana R. Faruqi Hugh W. Thompson Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):o57-o59
2,8‐Dioxatricyclo[3.3.3.01,5]undecane‐3,7‐dione, C9H10O4, (I), is the dilactone acylal of cyclopentanone‐2,2‐diacetic acid. Both molecules in the asymmetric unit have conformational chirality and differ principally in the flexing of the carbon ring, which produces a resolvable conformational disorder in one of the molecules. Three intermolecular C—H⋯O close contacts exist. 7,7′‐Oxybis(2,8‐dioxatricyclo[3.3.3.01,5]undecan‐3‐one), C18H22O7, (II), a racemate, lies on a C2 axis and is a non‐meso furanosyl furanoside dimer derived from the monoacid monoaldehyde corresponding to (I). One intermolecular C—H⋯O close contact exists. Diminished intramolecular void space in these small propellanoids generates unusually high crystal density in both species, particularly (I). 相似文献
11.
Bernardo Masci Stefano Saccheo Massimiliano Fonsi Maurizio Varrone Marco Finelli Martine Nierlich Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):978-981
Three methoxy‐ether and one methoxy‐ether/crown‐ether derivatives of p‐tert‐butyltetrahomodioxa‐ and p‐R‐octahomotetraoxacalix[4]arenes (R = methyl, tert‐butyl, H) have been investigated. The first three compounds, 7,15,21,27‐tetra‐tert‐butyl‐29,30,31,32‐tetramethoxy‐3,11‐dioxapentacyclo[23.3.1.15,9.113,17.119,23]ditriaconta‐1(29),5,7,9(30),13,15,‐17(31),19,21,23(32),25,27‐dodecaene, C50H68O6, 33,34,35,36‐tetramethoxy‐7,15,23,31‐tetramethyl‐3,11,19,27‐tetraoxapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta‐1(33),5,7,9(34),13,15,17(35),21,23,25(36),29,31‐dodecaene, C40H48O8, and 7,23‐di‐tert‐butyl‐33,34,35,36‐tetramethoxy‐3,11,19,27‐tetraoxapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta‐1(33),5,7,9(34),13,15,17(35),‐ 21,23,25(36),29,31‐dodecaene, C44H56O8, in the partial‐cone or 1,2‐alternate conformations, present the common feature of methoxy‐ether self‐inclusion, while the fourth, 42,43‐dimethoxy‐7,15,23,31‐tetramethyl‐3,11,19,27,34,37,40‐heptaoxahexacyclo[15.15.9.15,9.121,25.013,41.029,33]tritetraconta‐5(42),6,8,13(41),14,16,21(43),22,24,29(33),30,32‐dodecaene, C42H50O9, adopts the 1,3‐alternate conformation owing to the presence of a 1,3‐polyether chain. 相似文献
12.
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
13.
Jakub Wojciechowski Henryk Krawczyk Marcin
liwiski Wojciech M. Wolf 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o351-o353
The title compound, C11H16O3, adopts a conformation in which the δ‐valerolactone and cyclohexane rings are almost coplanar with one another. The β‐methoxy substituent occupies an axial position with respect to the cyclohexane ring. The δ‐valerolactone moiety adopts a half‐chair arrangement, while the cyclohexane ring exists in a chair conformation. 相似文献
14.
Daisuke Hashizume Naoki Takashima Takashi Oikawa Hideki Ishii Haruki Niwa Fujiko Iwasaki 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):827-829
The title compounds, 3a,9a‐trans‐9,9a‐trans‐4,4‐dimethyl‐9‐phenyl‐2,3,3a,4,9,9a‐hexahydrobenzo[f]indene, C21H24, (I), and 3a,4‐trans‐3a,9a‐cis‐9,9a‐trans‐4‐methoxy‐9‐phenyl‐2,3,3a,4,9,9a‐hexahydrobenzo[f]indene, C20H22O, (II), are products of the photoinduced electron‐transfer reaction of 1,1‐diphenyl‐1,n‐alkadienes. The molecular structures are in good agreement with those proposed from the reaction mechanisms. The central rings of the fused systems of both compounds take chair and boat conformations in (I) and (II), respectively. There are no remarkable short contacts shorter than the sum of the van der Waals radii in the crystals, but some weak C—H?π interactions are found. 相似文献
15.
Il Yoon Byeong Soon Yoo Shim Sung Lee Bong Gon Kim 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):758-759
The preparation and crystal structure of the title compound, cis‐dichloro[6,9‐dioxa‐3,12‐dithiabicyclo[12.4.0]octadeca‐14,‐16,18(1)‐triene‐S,S′]palladium(II), [PdCl2(C14H20O2S2)], are described. The Pd atom has a square‐planar environment, coordinated to two S atoms of the dithiadioxa macrocycle and to two Cl? ions. The non‐coordinating O atoms are oriented away from the metal coordination plane. Upon complexation, a bicyclic chelate structure, which consists of a seven‐ and an eleven‐membered ring, is formed. 相似文献
16.
Guangrong Zheng Sean Parkin Linda P. Dwoskin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o9-o11
The crystal structures of the title compounds, 2α,4α‐dibenzyl‐3α‐tropanol (2α,4α‐dibenzyl‐8‐methyl‐8‐azabicyclo[3.2.1]octan‐3α‐ol), C22H27NO, (I), and 2α,4α‐dibenzyl‐3β‐tropanol (2α,4α‐dibenzyl‐8‐methyl‐8‐azabicyclo[3.2.1]octan‐3β‐ol), C22H27NO, (II), show that both compounds have a piperidine ring in a chair conformation and a pyrrolidine ring in an envelope conformation. Isomer (I) is asymmetric, the benzyl groups having different orientations, whereas isomer (II) is mirror symmetric, and the N and O atoms, the C atom attached to the hydroxy group, and the methyl C atom attached to the N atom lie on the mirror plane. In the crystal structures of both (I) and (II), the molecules are linked together by intermolecular O—H⋯N hydrogen bonds to form chains that run parallel to the a direction in (I) and parallel to b in (II). 相似文献
17.
Antonio C. Doriguetto Marcelo H. Santos Javier A. Ellena Tanus J. Nagem 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1095-1097
The natural compound 5,10‐dihydroxy‐2,2‐dimethylpyrano[3,2‐b]xanthen‐6(2H)‐one (6‐deoxyjacareubin), C18H14O5, was isolated from leaves of Vismia latifolia (Guttiferae family). The compound has four six‐membered rings. The molecule has two planar benzenoid and one planar pyranoid ring, plus a pyranoid ring in a distorted chair conformation. The crystal is stabilized by one intra‐ and one intermolecular hydrogen bond. 相似文献
18.
P. E. S. De Oliveira L. M. Conserva C. A. De Simone M. A. Pereira V. R. S. Malta D. O. Imbroisi 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):o900-o902
X‐ray diffraction studies carried out on single crystals of the monomeric, viz. 5,6‐dimethoxy‐2H‐furo[2,3‐h][1]benzopyran‐2‐one, C13H10O5, and dimeric, viz. 5,5′,6,6′‐tetramethoxy‐3,3′,4,4′‐tetrahydro‐2H,2′H‐3,3′:4,4′‐bi(furo[2,3‐h][1]benzopyran)‐2,2′‐dione, C26H20O10, forms of pimpinellin have revealed that, following cyclodimerization, the carbonyl groups are head‐to‐head with respect to one another. In the monomer, the heterocyclic ring is planar, but it exhibits a twisted‐boat conformation in the dimer. Both the monomer and the dimer interact through C—H⋯O interactions. 相似文献
19.
Jesus Bueno Manuel Melguizo M. Luisa Quijano John Nicolson Low 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o363-o366
The supramolecular structures of the isomeric compounds 5,7‐dimethoxyimidazo[1,2‐c]pyrimidine, C8H9N3O2, (I), and 7‐methoxy‐1‐methylimidazo[1,2‐a]pyrimidin‐5(1H)‐one, C8H9N3O2, (II), are determined by weak C—H⃛N and C—H⃛O hydrogen bonds in (I), which generate alternating linked centrosymmetric R(8) and R(10) rings that form a ribbon running parallel to the c axis, and by C—H⃛O bonds in (II), which link the molecules into sheets comprising centrosymmetric R(10) and R(22) rings. 相似文献
20.
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