共查询到20条相似文献,搜索用时 31 毫秒
1.
Jong Seung Kim William P. Jensen Chang‐Hee Lee Jin‐Ho Lee Moon‐Jib Kim Jin‐Gyu Kim Il‐Hwan Suh 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):379-381
The title compound, C44H54N2O8·4H2O, has twofold crystallographic symmetry and consists of a calix[4]arene moiety with four phenyl rings arranged alternately in anti‐orientation fashion and two azacrown units attached on the lower rims of calix[4]arene. This seems to offer a big cavity inside the molecule which might possess a potential for forming host–guest complexes. 相似文献
2.
Botjan Genorio Joe Kobe Gerald Giester Ivan Leban 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o221-o224
The two title ethoxycarbonylmethoxy derivatives of calix[4]arene, namely diethyl 2,4‐dihydroxycalix[4]arene‐1,3‐diyldi(oxyacetate), C36H36O8, (I), and tetraethyl calix[4]arene‐1,2,3,4‐tetrayltetra(oxyacetate), C44H48O12, (II), form two different conformations, viz. a cone in (I), where intramolecular hydrogen bonds are formed through OH groups in a partially substituted calix[4]arene, and a 1,3‐alternate form of a completely substituted calix[4]arene in (II). A unique three‐dimensional array of molecules exists in (II), with the channels extended along the entire crystal. 相似文献
3.
Shujing Dong Wenxiang Zhu Daqiang Yuan Xi Yan 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o376-o377
A new p‐tert‐butylthiacalix[4]arene derivative, C72H68N4O4S4·2CH2Cl2, has been synthesized and is comprised of one tetra‐p‐tert‐butyltetrakis(2‐cyanobenzyloxy)tetrathiacalix[4]arene and two dichloromethane molecules. The calix[4]arene molecule is centrosymmetric and adopts an unusual 1,2‐alternate conformation viaπ–π interactions between adjacent cyanophenyl rings on the lower rim of the parent thiacalix[4]arene system. 相似文献
4.
Leah M. Schlientz Karl S. Hagen 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o533-o535
The title compound, C48H60O8·3C3H7NO, is a derivative of calix[4]arene in the cone conformation, modified with distal carboxylic acid functional groups at the lower rim. A clathrate dimethylformamide (DMF) molecule is located within the calix[4]arene cone, and two DMF solvate molecules participate in hydrogen bonding with the carboxylic acid groups. Intramolecular hydrogen bonds are also formed between the OH groups and the adjacent ether groups in the partially substituted calix[4]arene. 相似文献
5.
Simon J. Coles Christopher W. Hall Michael B. Hursthouse 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o29-o31
The two title calix[4]arene compounds, C34H32O8, (I), and C36H36O8·CH3Cl, (II), respectively, which differ only in the size of the alkyl function on the pendant ester group, are compared. Compound (I) forms a novel supramolecular array, whilst (II) fails to do so due to accommodating a chloroform guest molecule in the lower‐rim cavity. 相似文献
6.
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
7.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o647-o649
Crystals of the title compound, C15H17NO3, were obtained from a condensation reaction of 3‐hydroxy‐4‐methoxybenzaldehyde with 1‐azabicyclo[2.2.2]octan‐3‐one and subsequent crystallization of the product from methanol. The title compound, containing a double bond that connects the azabicyclic ring system to the 3‐hydroxy‐4‐methoxybenzylidene group, was obtained with Z geometry. 相似文献
8.
Pierre Thury Hiroyuki Takemura 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m384-m386
The title complex, diaquadipyridinelithium (N‐methyl‐p‐tert‐butyldihomoammoniocalix[4]arene‐κ4O)dioxouranium(VI) tripyridine solvate monohydrate, [Li(C5H5N)2(H2O)2][UO2(C46H58NO4)]·3C5H5N·H2O, contains an `internal' tetraphenoxide‐coordinated uranyl complex of the macrocycle, in which the protonated N atom is involved in an intramolecular hydrogen bond with the uranyl oxo group located in the cavity. The Li+ ion is in a tetrahedral environment and its two water ligands are involved in hydrogen bonds with two phenoxide O atoms, two pyridine molecules and one water molecule. This arrangement is compared with those obtained previously for other homoazacalixarenes and also for homooxacalixarenes in the presence of alkali metal hydroxides. 相似文献
9.
Bernardo Masci Marcello Colapietro Gustavo Portalone Stefano Saccheo 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o345-o346
The title compound, 13,21,35,43‐tetramethyl‐3,6,9,17,25,28,31,39,46,49‐decaoxaheptacyclo[21.21.3.311,33.02,41.010,15.019,24.032,37]pentaconta‐1,10,12,14,19,21,23,32,34,36,41,43‐dodecaene, C44H52O10, differs from previously reported 1,3‐bridged calix[4]arene–bis‐crown compounds in having an enlarged calixarene ring and shorter polyoxyethylene bridges. The cavity is partly filled by the bridges. 相似文献
10.
Angle Chiaroni Claude Riche Sverinne Rigolet Jean‐Marie Mlot Joël Vebrel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):473-474
The two title 5‐oxa‐2,6‐diazaspiro[3.4]octan‐1‐one adducts, 7‐benzoyl‐2‐(4‐methoxyphenyl)‐6‐phenyl‐5‐oxa‐2,6‐diazaspiro[3.4]octan‐1‐one, C25H22N2O4, (III), and 6‐tert‐butyl‐2‐(4‐methylphenyl)‐7‐phenyl‐5‐oxa‐2,6‐diazaspiro[3.4]octan‐1‐one, C22H26N2O2, (IV), were obtained from a stereospecific [3+2] 1,3‐cycloaddition of 3‐methylene azetidin‐2‐ones as dipolarophiles with nitrones. The lactam ring is conjugated with the p‐methoxyphenyl or p‐methylphenyl moiety. The envelope conformations of the isoxazolidine rings in (III) and (IV) are different, leading the substituents to be pseudo‐axial in (III) and pseudo‐equatorial in (IV). 相似文献
11.
Jana Sopkov‐de Oliveira Santos Alexandre Bouillon Jean‐Charles Lancelot Sylvain Rault 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o582-o584
The crystal structure of the first reported non‐substituted N‐methyldioxazaborocane confirms that the presence of a methyl group attached to the N atom introduces an NB bond length that is longer than that in a simple dioxazaborocane ring. The presence of more N atoms in the vicinity of the B atom in the title compound [systematic name: 6a‐(6‐bromopyridin‐2‐yl)‐3a‐methyl‐2,3,4,5‐tetrahydro‐1,6‐dioxa‐3a‐aza‐6a‐borapentalene], C10H14BBrN2O2, does not modify significantly any structural parameter in the dioxazaborocane ring. On the other hand, a small asymmetry appears in the bond angles of the pyridine C atom next to the B atom. 相似文献
12.
Anthony Linden Andreas Gebert Heinz Heimgartner 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):764-766
The tetrathiane ring of the title compound, C26H16S4, has a chair conformation and the molecule has approximate C2 symmetry. Each of the two fluorene ring systems is virtually planar, with the ring planes intersecting at an angle of 67.58 (5)°. This novel compound has been formed as a side product from the treatment of 9H‐fluorene‐9‐thione with methyl N‐[(benzylidene)phenyl]glycinate in the presence of LiBr and 1,6‐diazabicyclo[5.4.0]undecane. 相似文献
13.
Boris B. Averkiev Mikhail Yu. Antipin Aleksey B. Sheremetev Tatiana V. Timofeeva 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o383-o387
In earlier papers, we described the synthesis and structures of bis(3‐nitrofurazan‐4‐yl) ether, C4N6O7, (I), bis[3‐(nitro‐N,N,O‐azoxy)furazan‐4‐yl] ether, C4N10O9, (II), and bis[3‐(5H‐[1,2,3]triazolo[4,5‐c]furazan‐5‐yl)furazan‐4‐yl] ether, C8N14O5, (III). Here we compare the structures of (I)–(III) with those of four 3‐cyanodifurazanyl ethers, namely bis(3‐cyanofurazan‐4‐yl) ether, C6N6O3, (IV), 3‐cyanofurazanyl 3‐nitrofurazanyl ether, C5N6O5, (V), 3,4‐bis(3‐cyanofurazan‐4‐yloxy)furazan, C8N8O5, (VI), and bis[3‐(3‐cyanofurazan‐4‐yloxy)furazan‐4‐yl]diazene, C10N12O6, (VII). It was found that the geometric parameters of the difurazanyl ether fragments are similar in these structures and therefore not influenced by substituent effects; however, the conformation of this fragment is different, viz. structures (I), (III), (V) and (VI) have approximate C2 symmetry, and structures (II), (IV) and (VII) have Cs symmetry. Dense crystal packing (1.626–1.898 Mg m−3) is characteristic for all these hydrogen‐free compounds. A linear correlation is also determined between crystal density and `molecular density' (M/V), where M is the mass of a molecule and V is the molecular volume. 相似文献
14.
Michael J. Goldcamp Jeanette A. Krause Bauer Michael J. Baldwin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e602-e603
Tris[2‐(benzoylamino)ethyl]amine [alternatively, N,N′,N′′‐(nitrilotriethyl)tribenzamide], C27H30N4O3, adopts a folded structure, forming a symmetrical cavity with an average depth of 7.3 Å and width ranging from 4.1–4.4 Å. The folded structure is a result of one intramolecular N—H?O hydrogen bond. A linear chain motif along the c axis best describes the extended intermolecular N—H?O hydrogen bonding. 相似文献
15.
Yavuz Kysal amil Ik Emine DogÜda Birsen Tozkoparan Mevlüt Ertan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o356-o357
The title compound, C25H17F2N3OS, was synthesized from 6‐(benzylidene)thiazolo[3,2‐b][1,2,4]triazol‐5(6H)‐one. The fused thiazolo[3,2‐b][1,2,4]triazole system is essentially planar, and bifurcated C—H⋯O, C—H⋯N and C—H⋯F interactions are present between molecules. 相似文献
16.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 相似文献
17.
Caroline Charlier Bernadette Norberg Laurence Goossens Jean‐Pierre Hnichart Franois Durant 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o648-o652
Three related compounds containing a pyrazole moiety with vicinal phenyl rings featuring a methylsulfonyl substituent are described, namely 3‐methyl‐1‐[4‐(methylsulfonyl)phenyl]‐5‐phenyl‐1H‐pyrazole, C17H16N2O2S, ethyl 1‐[4‐(methylsulfonyl)phenyl]‐5‐phenyl‐1H‐pyrazole‐3‐carboxylate, C19H18N2O4S, and 1‐[4‐(methylsulfonyl)phenyl]‐3‐[3‐(morpholino)phenoxymethyl]‐5‐phenyl‐1H‐pyrazole, C27H27N3O4S. The design of these compounds was based on celecoxib, a selective cyclooxygenase‐2 (COX‐2) inhibitor, in order to study the influence of various substituents on COX‐2 and 5‐lipoxygenase (5‐LOX) inhibition. 相似文献
18.
Ivan Leban Lovro Seli
Toma Mesar Anton opar Tom olmajer 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o367-o369
The molecular structure of the title tricyclic compound, C17H21NO4, which is the immediate precursor of a potent synthetic inhibitor {Lek157: sodium (8S,9R)‐10‐[(E)‐ethylidene]‐4‐methoxy‐11‐oxo‐1‐azatricyclo[7.2.0.03,8]undec‐2‐ene‐2‐carboxylate} with remarkable potency, provides experimental evidence for the previously modelled relative position of the fused cyclohexyl ring and the carbonyl group of the β‐lactam ring, which takes part in the formation of the initial tetrahedral acyl–enzyme complex. In this hydrophobic molecule, the overall geometry is influenced by C—H?O intramolecular hydrogen bonds [3.046 (4) and 3.538 (6) Å, with corresponding normalized H?O distances of 2.30 and 2.46 Å], whereas the molecules are interconnected through intermolecular C—H?O hydrogen bonds [3.335 (4)–3.575 (5) Å]. 相似文献
19.
Cheng‐Rong Ding Zhi‐Min Jin Hai‐Bin Wang Mao‐Lin Hu He Lin 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):m203-m204
The title compound, (C6H14N2)[Cr3O10], consists of a diazabicyclo[2.2.2]octane‐1,4‐diium cation and a discrete trichromate anion linked by an N—H⋯O hydrogen bond. Three CrO4 tetrahedra are joined via shared O atoms to form the trichromate anion. Supramolecular rings, which can be described by the graph‐set motif (26), are built via N—H⋯O hydrogen bonds, and C—H⋯O interactions play lesser roles in forming the structure. 相似文献
20.
Rafael Roggenbuck Markus Schürmann Hans Preut Peter Eilbracht 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e356-e356
The title compound, C12H16O4, (I), was prepared by oxidation of (5S*,6R*)‐1,7‐dioxadispiro[4.0.4.4]tetradecane‐2,8‐diol using silver(I) carbonate and posesses a cis configuration of the two five‐membered‐ring lactones fused spiro to the six‐membered carbocycle, which has a chair conformation. It represents an exceptional structure for bis‐tetrahydrofuran units, which are interesting building blocks in natural products. The synthesis, spectroscopic data and X‐ray structural analysis are described. The crystal contains discrete molecules separated by normal van der Waals distances. 相似文献