共查询到20条相似文献,搜索用时 46 毫秒
1.
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
2.
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
3.
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
4.
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
5.
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
6.
Ilia A. Guzei Xuemei Wang George A. Kraus 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):389-390
The title compound, 3,3a,5,5a,6,7,8,9‐octahydro‐3a‐hydroxy‐5a‐methyl‐8‐(2‐propenyl)furo[3,2‐c]isobenzofuran‐2‐one, C14H20O4, crystallizes with two independent molecules in the asymmetric unit. The molecules have similar metric parameters but differ in the conformations of the isopropenyl groups. The hydroxyl groups form one‐dimensional chains of hydrogen bonds. 相似文献
7.
Raphaël Frdrick Bernadette Norberg Franois Durant Frederic Ooms Johan Wouters 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o623-o626
The structures of three compounds, namely 7‐methoxy‐2‐[3‐(trifluoromethyl)phenyl]‐9H‐indeno[1,2‐c]pyridazin‐9‐one, C19H11F3N2O2, (Id), 6‐methoxy‐2‐[3‐(trifluoromethyl)phenyl]‐9H‐indeno[1,2‐c]pyridazin‐9‐one, C19H11F3N2O2, (IId), and 2‐methyl‐6‐(4,4,4‐trifluorobutoxy)‐9H‐indeno[1,2‐c]pyridazin‐9‐one, C16H13F3N2O2, (IIf), which are potent reversible type‐B monoamine oxidase (MAO‐B) inhibitors, are presented and discussed. Compounds (Id) and (IId) crystallize in a nearly planar conformation. The crystal structures are stabilized by weak C—H⋯O hydrogen bonds. The packing is dominated by π–π stacking interactions between the heterocyclic central moieties of centrosymmetrically related molecules. In compound (IIf), the trifluoroethyl termination is almost perpendicular to the plane of the ring. 相似文献
8.
Sanjay Sarkhel Prativa Srivastava Vishnu J. Ram Prakas R. Maulik Charlotte K. Broder Judith A. K. Howard 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):e88-e89
The crystal structure of [2‐(4‐bromophenyl)‐4‐cyano‐5‐ferrocenylpyrazolo[2,3‐a]pyridin‐7‐yl]acetonitrile, C26H17N4FeBr or [Fe(C5H5)(C21H12BrN4)], shows that the pyrazolopyridine ring system (PP), the bromophenyl ring (BP) and the cyclopentadiene ring (Cp) are nearly planar. The PP ring system is twisted out of the plane of the BP and Cp rings by about 20°. 相似文献
9.
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
10.
Giuseppe Bruno Francesco Nicol Archimede Rotondo Francesco Foti Francesco Risitano Giovanni Grassi Cristina Bilardo 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):493-494
The crystal structure of the title compound, C17H10O3, is the first example of a furocoumarin containing three fused rings. The tricyclic furocoumarin fragment is perfectly planar. The phenyl substituent forms a dihedral angle of 39.52 (8)° with the plane of the tricyclic system. The crystal packing involves centrosymmetric dimers interconnected by strong π‐interactions between their furo[3,2‐c]coumarin fragments [at distances of 3.42 (4) Å]. 相似文献
11.
Jozef Miklovi
Albeta Krutoíkov Peter Baran 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):m227-m230
Pyridine fused with a furan ring (fupy), and its dimethyl derivative, have been used for the first time as ligands to synthesize potentially new Werner clathrates. The extended aromatic system of pyridine‐like ligands influences considerably the molecular structure of prepared nickel complexes. The molecular structure of tetrakis(furo[3,2‐c]pyridine)bis(isothiocyanato)nickel(II) tetrahydrofuran (THF) solvate, [Ni(NCS)2(C7H5NO)4]·C4H8O or [Ni(NCS)2(fupy)4]·THF, (I), reveals a `four‐blade propeller' arrangement of ligands, with the angles between the fupy planes and the basal octahedron plane spanning the range 38.7–55.3°. These angles are much larger (69.9–78.8°) in the centrosymmetric complex tetrakis(2,3‐dimethylfuro[3,2‐c]pyridine)bis(isothiocyanato)nickel(II) 6.6‐hydrate, [Ni(NCS)2(C9H9NO)4]·6.6H2O or [Ni(NCS)2(Me2fupy)4]·6.6H2O, (II), in which crystallographically imposed inversion symmetry is present. 相似文献
12.
Kamlakar Avasthi Sheikh M. Farooq Diwan S. Rawat Ashoke Sharon Prakas R. Maulik 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o523-o524
In the crystal structure of 1,3‐bis(4,6‐diisopropylsulfanyl‐1H‐pyrazolo[3,4‐d]pyrimidin‐1‐yl)propane, C25H36N8S4, the pairs of pyrazolo[3,4‐d]pyrimidine rings in the molecule stack as a result of intramolecular π–π interactions between the heterocyclic rings. The crystal packing also exhibits an intermolecular C—H...π interaction between one methyl group of an isopropyl group and a pyrazolo[3,4‐d]pyrimidine ring. 相似文献
13.
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
14.
Ilia A. Guzei Robert W. Clark Steven D. Burke William T. Lambert 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):o721-o723
Results of single‐crystal X‐ray experiments performed for the title compounds, (1S,2R,3S,4R,5R)‐4‐benzyloxy‐2‐[1‐(benzyloxy)allyl]‐5‐hydroxymethyl‐2,3,4,5‐tetrahydrofuran‐3‐ol, C22H26O5, (I), and (3R,5S,6S,7S,8S)‐3,6‐bis(benzyloxy)‐5‐iodomethyl‐2,3,4,5‐tetrahydrofuro[3,2‐b]furan‐2‐one, C21H21IO5, (II), demonstrate that the tetrahydrofuran ring that is common to both structures adopts a different conformation in each molecule. Structural analyses of (I) and (II), which were prepared from the same precursor, indicate that their different conformations are caused by hydrogen‐bonding interactions in the case of (I) and the presence of a fused bicyclic ring system in the case of (II). Density functional theory calculations on simplified analogs of (I) and (II) are also presented. 相似文献
15.
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
16.
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
17.
Mohammed Bakir Petrea C. Facey Ishmael Hassan Willem H. Mulder Roy B. Porter 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o798-o800
Mikanolide [systematic names: 1,10:2,3‐diepoxy‐6,8‐dihydroxy‐11‐vinylgermacr‐4‐ene 12,14‐di‐γ‐lactone and 7,10a‐dimethyl‐1a,1b,2a,6a,7,9a,10,10a‐octahydro‐4H‐6,3‐methenofuro[3,2‐c]bisoxireno[f,h]oxacycloundecin‐4,8(6H)‐dione], C15H14O6, derived from a variety of Mikania micrantha growing in Portland, Jamaica, contains a methylcyclodecane ring fused to an unsaturated planar α,γ‐lactone, an envelope‐type near‐planar vinyl‐β,γ‐lactone and two epoxide moieties. The crystal packing shows stacks of mikanolide molecules interlocked via a network of non‐classical C—H⋯O hydrogen bonds between the lactone units. 相似文献
18.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):843-845
The title compound, 2‐hydroxy‐1‐(phenylsulfonyl)spiro[cyclopentene‐4,9′‐[9H]fluoren]‐3‐one, C23H16O4S, crystallized in the centrosymmetric space group P21/n with one molecule as the asymmetric unit. The hydroxyl‐H atom is ordered and participates in a single intramolecular hydrogen bond and in a single intermolecular hydrogen bond, in which the OD—H distance is 0.90 (2), H?OA is 2.34 (3), OD?OA is 2.987 (2) Å and OD—H?OA is 129 (2)°. The intermolecular hydrogen bond forms an R(12) cyclic dimer about a center of symmetry. There are six leading C—H?O interactions. Taken together, these interactions form a three‐dimensional network. Structural comparisons are made with tetrabenzodispiro[4.0.4.3]tridecatetraene. 相似文献
19.
Fereshteh Haddadian Billiot Damon R. Billodeaux Steven F. Watkins Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e136-e137
The furocoumarin 1,2‐dihydro‐2‐(1,2‐dihydroxyprop‐2‐yl)‐8H‐furo[2,3‐h]benzopyran‐8‐one crystallizes from methanol–water as the monohydrate C14H14O5·H2O. Both chiral centers have the S configuration. Both OH groups and both H atoms of the water molecule form intermolecular hydrogen bonds with O?O distances in the range 2.7686 (18)–2.8717 (18) Å. 相似文献
20.
Christopher Glidewell John N. Low James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1462-1464
In the title compound, 2‐(2‐nitrophenylthio)‐1,2‐benzothiazol‐3(2H)‐one 1,1‐dioxide, 2‐O2NC6H4S(C7H4NO3S) or C13H8N2O5S2, the planes of the saccharin and nitrophenylthiolate portions are almost orthogonal. The molecules are linked by C—H?O=S hydrogen bonds [C?O 3.308 (3) Å, H?O 2.44 Å and C—H?O 155°] into cyclic centrosymmetric R22(16) dimers, reinforced by aromatic π?π stacking interactions between the nitrated aryl rings. 相似文献