共查询到20条相似文献,搜索用时 31 毫秒
1.
K. Ravikumar M. Mahesh V. V. Narayana Reddy 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):o887-o889
The structures of two diastereoisomers of 9‐chloro‐8‐fluoro‐4‐phenyl‐2,3,3a,4,5,9b‐hexahydrofuro[3,2‐c]quinoline, C17H15ClFNO, are very similar. The orientation of the furan ring, as a result of its fusion to the quinoline nucleus, constitutes the significant difference between the two structures. The dihedral angles between the furan and phenyl rings are 73.4 (1) and 63.8 (1)°. 相似文献
2.
(Borohydrido)(18‐crown‐6)potassium and (borohydrido)(dibenzo‐18‐crown‐6)(tetrahydrofuran)potassium
Claude Villiers Michel Ephritikhine Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m275-m277
In the two compounds (borohydrido)(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)potassium, [K(BH4)(C12H24O6)], (I), and (borohydrido)(1,4,7,10,13,16‐hexaoxa‐2,3:11,12‐dibenzocyclooctadeca‐2,11‐diene‐κ6O)(tetrahydrofuran)potassium, [K(BH4)(C4H8O)(C20H24O6)], (II), the K atom is bound to the six O atoms of the crown ether and to a tridentate borohydride group, with further coordination to a tetrahydrofuran molecule in (II). The alkali metal ion environment is thus distorted hexagonal–pyramidal in (I) and bipyramidal in (II). 相似文献
3.
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
4.
Daniel Vega Daniel Fernndez Javier A. Ellena 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1092-1094
The title compound, raloxifene hydrochloride, C28H28NO4S+·Cl?, belongs to the benzothiophene class of antiosteoporotic drugs. In the molecular cation, the 2‐phenol ring sustains a dihedral angle of 45.3 (1)° relative to the benzo[b]thiophene system. The benzo[b]thiophene and phenyl ring planes are twisted with respect to the carbonyl plane, with the smallest twist component occurring between the phenyl and carbonyl planes. The N atom bears the positive charge in the molecular cation and the piperidine ring adopts an almost perfect chair conformation. The Cl? anion is involved in the formation of N—H?Cl and O—H?Cl intermolecular hydrogen bonds, which lead to the formation of a layer of molecular cations. 相似文献
5.
Sara K. Metcalf Elizabeth M. Holt 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1228-1231
Diethyl 4‐(2,5‐dimethoxyphenyl)‐2,6‐dimethyl‐1,4‐dihydropyridine‐3,5‐dicarboxylate, C21H27NO6, (I), diethyl 4‐(3,4‐dimethoxyphenyl)‐2,6‐dimethyl‐1,4‐dihydropyridine‐3,5‐dicarboxylate, C21H27NO6, (II), and diethyl 2,6‐dimethyl‐4‐(3,4,5‐trimethoxyphenyl)‐1,4‐dihydropyridine‐3,5‐dicarboxylate, C22H29NO7, (III), crystallize with hydrogen‐bonding networks involving the H atom bonded to the N atom of the 1,4‐dihydropyridine ring and carbonyl O atoms in (I) and (II). Unusually, (III) shows O atoms of methoxy groups serving as hydrogen‐bond acceptors. 相似文献
6.
A. Subbiah Pandi D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun P. R. Seshadri D. Thirumalai 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):821-824
10‐(4‐Fluorophenyl)‐3,3,6,6,9‐pentamethyl‐3,4,6,7,9,10‐hexahydroacridine‐1,8(2H,5H)‐dione, C24H28FNO2, (I), crystallizes with two crystallographically independent molecules (which differ slightly in conformation), while 10‐(4‐fluorophenyl)‐9‐propyl‐3,3,6,6‐tetramethyl‐3,4,6,7,9,10‐hexahydroacridine‐1,8(2H,5H)‐dione, C26H32FNO2, (II), crystallizes with one molecule per asymmetric unit. In both structures, the central ring in the acridine moiety is in a sofa conformation, while the outer rings adopt intermediate half‐chair/sofa conformations. The central pyridine ring is orthogonal to the substituted phenyl ring. In both structures, the packing of the crystal is stabilized by C—H?O intermolecular hydrogen bonds. 相似文献
7.
Russell G. Baughman Daniel J. Brink Jill M. Butler Pamela R. New 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):528-531
The first single‐crystal studies of three bis‐transoid Cu–hydroxamate salts, bis(3‐methoxy‐4,N‐dimethylbenzohydroxamato‐O,O′)copper(II), [Cu(C10H12NO3)2], bis(4‐chloro‐N‐methylbenzohydroxamato‐O,O′)copper(II), [Cu(C8H7ClNO2)2], bis(N‐methyl‐3,5‐dinitrobenzohydroxamato‐O,O′)copper(II)–chloroform (1/2), [Cu(C8H6N3O6)2]·2CHCl3, are presented. The Cu atom in each of the title compounds sits at a center of inversion and displays a nearly square‐planar geometry with the hydroxamate‐O atoms connected to it in a syn configuration. The N atoms are in a transoid configuration. Each five‐membered Cu–hydroxamate ring is planar, thus providing evidence that a planar N atom is present in each ring. The phenyl groups are twisted with respect to the hydroxamate group by ~40–54°. The angular strain of the sp2 carbonyl oxygen is significant (~10° from ideal). 相似文献
8.
Li Feng Zhi‐Ming Li Yong‐Sheng Tan Min‐Qin Chen Lin‐Hong Weng Feng‐Gang Tao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o473-o474
The title compound, dimethyl 10b′‐(4‐fluorostyryl)‐8′,9′‐dimethoxy‐4‐nitro‐5′,6′‐dihydrospiro[9H‐fluorene‐9,1′(10b′H)‐pyrrolo[2,1‐a]isoquinoline]‐2′,3′‐dicarboxylate, C38H31FN2O8, is a new photochromic tetrahydroindolizine. One of the C—C bonds at the spiro C atom is very long [1.630 (2) Å], thus explaining the photochromic behaviour. 相似文献
9.
Doyle Britton Frank B. Mallory Clelia W. Mallory 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o235-o238
The molecular structures of 4,7‐dichlorobenzo[c]furazan 1‐oxide, C6H2Cl2N2O2, (I), and 4,7‐dibromobenzo[c]furazan 1‐oxide, C6H2Br2N2O2, (II), are normal. Compound (I) occurs in two polymorphic forms. One polymorph contains one molecule in the asymmetric unit, organized into two‐dimensional sheets involving intermolecular N?Cl and O?Cl interactions. The second polymorph has three molecules in the asymmetric unit, organized into two crystallographically different two‐dimensional sheets with similar interactions. Compound (II) is isomorphous with the second polymorph of (I). The three two‐dimensional sheets in the two polymorphs comprise a set of three two‐dimensional polymorphic arrangements. 相似文献
10.
John Nicolson Low Justo Cobo Braulio Insuasty Henry Insuasty Manuel Nogueras Adolfo Snchez 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o103-o105
In both title compounds, i.e. 3‐methyl‐1,5‐diphenyl‐1,6,7,8‐tetrahydropyrazolo[3,4‐b][1,4]diazepine, C19H18N4, (I), and 5‐(4‐chlorophenyl)‐3‐methyl‐1‐phenyl‐1,6,7,8‐tetrahydropyrazolo[3,4‐b][1,4]diazepine, C19H17ClN4, (II), an N—H?N hydrogen bond links six molecules to form an R(30) ring. Compound (I) crystallizes in the R space group and (II) crystallizes in P with three molecules in the asymmetric unit. The molecule of (I) contains a disordered seven‐membered ring. 相似文献
11.
Shaoming Duan Ronald J. Baker John Masnovi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):99-101
The structure of 9‐phenyl‐3,4,4a,9a‐tetrahydrotriptycene, C26H22, (I), exhibits regiochemistry consistent with a stepwise mechanism for its formation from photocycloaddition of 1,3‐cyclohexadiene and 9‐phenylanthracene. Bond distances involving the bridgehead C atoms are similar in (I) and the hydrogenated derivative, 9‐phenyl‐1,2,3,4,4a,9a‐hexahydrotriptycene, C26H24, (II), with bonds to the quaternary‐C atoms exhibiting significant elongation [1.581 (2) Å in (I) and 1.585 (2) Å in (II)]. The molecular geometry precludes significant σ–π overlap between the phenyl groups and the interannular bonds in both compounds, indicating that the origin of the bond lengthening is steric in nature. 相似文献
12.
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
13.
Shi‐Ping Yang Xi‐Bin Yu Ji‐Guang Huang Han‐Hong Xu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o392-o393
The structure determination of the title compound, rotenone α‐oxime [systematic name: 1,2,12,12a‐tetrahydro‐8,9‐dimethoxy‐2‐(1‐methylethenyl)‐[1]benzopyrano[3,4‐b]furo[2,3‐h][1]benzopyran‐6(6H)‐one oxime], C23H23NO6, confirms that the molecule has an approximately V‐shaped structure. One of the rings has a typical cyclohexene‐like monoplanar conformation and the central ring adopts a 1,2‐diplanar conformation. 相似文献
14.
Fabrice Camus Bernadette Norberg Anne Legrand Benoit Rigo Franois Durant Johan Wouters 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):193-196
In the course of a study on pyrrolidinones, the crystal structures of four compounds, namely, methyl N‐[(4‐methoxyphenyl)(3,4,5‐trimethoxyphenyl)methyl]pyroglutamate, C23H27NO7, methyl N‐[naphthyl‐(3,4,5‐trimethoxyphenyl)methyl]pyroglutamate diacetyl peroxide, C26H27NO6·‐0.5C4H6O4, 5‐(3,4,5‐trimethoxyphenyl)‐1,2,3,11b‐tetrahydro‐5H‐naphtho[1,8‐f,g]indolizin‐3‐one, C24H23NO4, and 5‐(3,4,5‐trimethoxyphenyl)‐1,2,3,5,12,12a‐hexahydronaphtho[1,2‐f]indolizine‐3,12‐dione, C25H23NO5, are presented, compared and discussed. 相似文献
15.
Alexander Filippou Peter Portius Athanassios Philippopoulos Gabriele Kociok‐Khn Burkhard Ziemer 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e378-e379
trans‐[MoCl2(dppe)2] [dppe is 1,2‐ethanediylbis(diphenylphosphine), C26H24P2] was obtained as a side product from the reaction of trans‐[Mo(dppe)2(N2)2] with Cp*GeCl to give the germylyne complex trans‐[Cl(dppe)2Mo[triple‐bond]Ge(η1‐Cp*)]. The crystal structures of the hemipentane (0.5C5H12) and ditetrahydrofuran (2C4H8O) solvates of trans‐[MoCl2(dppe)2], (IIIa) and (IIIb), respectively, have been determined. 相似文献
16.
John Nicolson Low Justo Cobo Manuel Nogueras Adolfo Snchez Harlen Torres Braulio Insuasty 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):o305-o310
The supramolecular structures of the title compounds, 2‐phenyl‐5‐p‐tolyl‐1,5,6,10b‐tetrahydropyrazolo[1,5‐c]quinazoline, C23H21N3, (I), 5‐(4‐bromophenyl)‐2‐phenyl‐1,5,6,10b‐tetrahydropyrazolo[1,5‐c]quinazoline, C22H18BrN3, (II), 2‐(4‐chlorophenyl)‐5‐phenyl‐1,5,6,10b‐tetrahydropyrazolo[1,5‐c]quinazoline, C22H18ClN3, (III), and 5‐(4‐bromophenyl)‐2‐(4‐chlorophenyl)‐1,5,6,10b‐tetrahydropyrazolo[1,5‐c]quinazoline, C22H17BrClN3, (IV), are of two general types. Compounds (I), (II) and (III) form base‐paired dimers via N—H?N hydrogen bonds, where (I) and (II) are isomorphous, while in (IV), there are no conventional hydrogen bonds. 相似文献
17.
Masood Parvez Sumaira Umbreen Farzana Latif Ansari 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o298-o301
In the structures of 2‐(4‐chlorophenyl)‐4‐(2‐hydroxyphenyl)‐2,3‐dihydro‐1,5‐benzothiazepine, C21H16ClNOS, 4‐(2‐hydroxyphenyl)‐2‐(4‐tolyl)‐2,3‐dihydro‐1,5‐benzothiazepine, C22H19NOS, and 4‐(2‐hydroxyphenyl)‐2‐(3‐methoxyphenyl)‐2,3‐dihydro‐1,5‐benzothiazepine, C22H19NO2S, the central seven‐membered heterocyclic rings adopt twist‐boat conformations in which the N atoms are involved in strong intramolecular hydrogen bonds with the hydroxyl H atoms, resulting in six‐membered rings. 相似文献
18.
K. Ravikumar B. Sridhar M. Mahesh V. V. Narayana Reddy 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):o574-o576
The crystal structures of pyranoquinolines 9‐fluoro‐5‐phenyl‐3,4,4a,5,6,10b‐hexahydro‐2H‐pyrano[3,2‐c]quinoline, C18H18FNO, and 9‐methyl‐5‐phenyl‐3,4,4a,5,6,10b‐hexahydro‐2H‐pyrano[3,2‐c]quinoline, C19H21NO, are isomorphous. In both structures, the pyran ring is exo to the six‐membered N‐heterocyclic ring formed in the cycloaddition step. The torsion angles across the phenyl linkage for the two structures are −91.2 (1) and −88.3 (2)°. The striking feature in both crystal packings is that they do not contain the expected conventional hydrogen bonds, in spite of the presence of good hydrogen‐bonding functionalities. Possible C—H⋯π interactions are, however, observed. 相似文献
19.
Ademir F. Morel Wellington de A. Gonzaga Robert A. Burrow Ccilia Maichle‐Mssmer Joachim Strhle 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):o606-o607
The title compound, 1‐(5‐methyl‐5,6‐dihydro[1,3]dioxolo[4′,5′:4,5]benzo[c][1,5]dioxolo[4,5‐j]phenanthridin‐6‐yl)acetone, C23H19NO5, isolated from the stem bark of Zanthoxylum rhoifolium, crystallizes as a racemate in space group P. The structure shows two aromatic ring systems, each terminated by a five‐membered dioxole ring, coupled by an N‐containing ring. The core of the molecule is almost planar; the planes of the two ring systems form an angle of 18.42 (6)°. The packing shows the molecules parallel to each other and about 3.5 Å apart with graphite‐type interactions. The N‐methyl and acetone groups, which are anti with respect to one another, lie out of the plane and pack in spaces between neighbouring molecules. 相似文献
20.
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