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31.
Lina M. Acosta Quintero Isidro Burgos Alirio Palma Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(1):52-56
A simple and effective two‐step approach to tricyclic pyrimidine‐fused benzazepines has been adapted to give the tetracyclic analogues. In (RS)‐8‐chloro‐6‐methyl‐1,2,6,7‐tetrahydropyrimido[5′,4′:6,7]azepino[3,2,1‐hi]indole, C15H14ClN3, (I), the five‐membered ring adopts an envelope conformation, as does the reduced pyridine ring in (RS)‐9‐chloro‐7‐methyl‐2,3,7,8‐tetrahydro‐1H‐pyrimido[5′,4′:6,7]azepino[3,2,1‐ij]quinoline, C16H16ClN3, (II). However, the seven‐membered rings in (I) and (II) adopt very different conformations, with the result that the methyl substituent occupies a quasi‐axial site in (I) but a quasi‐equatorial site in (II). The molecules of (I) are linked by C—H...N hydrogen bonds to form C(5) chains and inversion‐related pairs of chains are linked by a π–π stacking interaction. A combination of a C—H...π hydrogen bond and two C—Cl...π interactions links the molecules of (II) into complex sheets. Comparisons are made with some similar fused heterocyclic compounds. 相似文献
32.
Lina M. Acosta Ali Bahsas Alirio Palma Justo Cobo John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(9):o514-o518
(2SR,4RS)‐7‐Chloro‐2‐exo‐[(E)‐styryl]‐2,3,4,5‐tetrahydro‐1H‐1,4‐epoxy‐1‐benzazepine, C18H16ClNO, (I), crystallizes as a racemic twin in the space group P21 and the molecules are linked into a chain of edge‐fused R33(9) rings by a combination of C—H...O and C—H...N hydrogen bonds. The diastereoisomer (2RS,4RS)‐7‐chloro‐2‐endo‐[(E)‐styryl]‐2,3,4,5‐tetrahydro‐1H‐1,4‐epoxy‐1‐benzazepine, (II), also crystallizes as a racemic twin, but in the space group P212121, and a two‐centre C—H...N hydrogen bond and a three‐centre C—H...(O,N) hydrogen bond combine to link the molecules into a complex chain of rings. In (2R,4R)‐7‐fluoro‐2‐endo‐[(E)‐styryl]‐2,3,4,5‐tetrahydro‐1H‐1,4‐epoxy‐1‐benzazepine, C18H16FNO, (III), which is not isomorphous with (II), the molecules are linked by a single C—H...O hydrogen bond into simple chains, but the molecular arrangements in (II) and (III) are nonetheless very similar. The significance of this study lies in its observation of the variations in molecular configuration and conformation, and in the variation in the supramolecular aggregation, consequent upon modest changes in the peripheral substituents. 相似文献
33.
Lina M. Acosta Alirio Palma Ali Bahsas Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(4):o206-o208
Molecules of the title compound, C18H16FNO, are linked into a three‐dimensional framework structure by a combination of two C—H...O hydrogen bonds and three C—H...π(arene) hydrogen bonds. Comparisons are made with the (2R,4R) diastereoisomer and with the corresponding pair of diastereoisomeric 7‐chloro analogues. 相似文献
34.
Diego Rodríguez Sergio Andrs Guerrero Alirio Palma Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2020,76(9):883-890
Structures are reported for two matched sets of substituted 4‐styrylquinolines which were prepared by the formation of the heterocyclic ring in cyclocondensation reactions between 1‐(2‐aminophenyl)‐3‐arylprop‐2‐en‐1‐ones with 1,3‐dicarbonyl compounds. (E)‐3‐Acetyl‐4‐[2‐(4‐methoxyphenyl)ethenyl]‐2‐methylquinoline, C21H19NO2, (I), (E)‐3‐acetyl‐4‐[2‐(4‐bromophenyl)ethenyl]‐2‐methylquinoline, C20H16BrNO, (II), and (E)‐3‐acetyl‐2‐methyl‐4‐{2‐[4‐(trifluoromethyl)phenyl]ethenyl}quinoline, C21H16F3NO, (III), are isomorphous and in each structure the molecules are linked by a single C—H…O hydrogen bond to form C(6) chains. In (I), but not in (II) or (III), this is augmented by a C—H…π(arene) hydrogen bond to form a chain of rings; hence, (I)–(III) are not strictly isostructural. By contrast with (I)–(III), no two of ethyl (E)‐4‐[2‐(4‐methoxyphenyl)ethenyl]‐2‐methylquinoline‐3‐carboxylate, C22H21NO3, (IV), ethyl (E)‐4‐[2‐(4‐bromophenyl)ethenyl]‐2‐methylquinoline‐3‐carboxylate, C21H18BrNO2, (V), and ethyl (E)‐2‐methyl‐4‐{2‐[4‐(trifluoromethyl)phenyl]ethenyl}quinoline‐3‐carboxylate, C22H18F3NO2, (VI), are isomorphous. The molecules of (IV) are linked by a single C—H…O hydrogen bond to form C(13) chains, but cyclic centrosymmetric dimers are formed in both (V) and (VI). The dimer in (V) contains a C—H…π(pyridyl) hydrogen bond, while that in (VI) contains two independent C—H…O hydrogen bonds. Comparisons are made with some related structures, and both the regiochemistry and the mechanism of the heterocyclic ring formation are discussed. 相似文献
35.
David H. Weinberg Michael J. Mortonson Daniel J. Eisenstein Christopher Hirata Adam G. Riess Eduardo Rozo 《Physics Reports》2013
The accelerating expansion of the universe is the most surprising cosmological discovery in many decades, implying that the universe is dominated by some form of “dark energy” with exotic physical properties, or that Einstein’s theory of gravity breaks down on cosmological scales. The profound implications of cosmic acceleration have inspired ambitious efforts to understand its origin, with experiments that aim to measure the history of expansion and growth of structure with percent-level precision or higher. We review in detail the four most well established methods for making such measurements: Type Ia supernovae, baryon acoustic oscillations (BAO), weak gravitational lensing, and the abundance of galaxy clusters. We pay particular attention to the systematic uncertainties in these techniques and to strategies for controlling them at the level needed to exploit “Stage IV” dark energy facilities such as BigBOSS, LSST, Euclid, and WFIRST . We briefly review a number of other approaches including redshift-space distortions, the Alcock–Paczynski effect, and direct measurements of the Hubble constant H0. We present extensive forecasts for constraints on the dark energy equation of state and parameterized deviations from General Relativity, achievable with Stage III and Stage IV experimental programs that incorporate supernovae, BAO, weak lensing, and cosmic microwave background data. We also show the level of precision required for clusters or other methods to provide constraints competitive with those of these fiducial programs. We emphasize the value of a balanced program that employs several of the most powerful methods in combination, both to cross-check systematic uncertainties and to take advantage of complementary information. Surveys to probe cosmic acceleration produce data sets that support a wide range of scientific investigations, and they continue the longstanding astronomical tradition of mapping the universe in ever greater detail over ever larger scales. 相似文献
36.
Lina M. Acosta Quintero Alirio Palma Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(4):346-357
A versatile synthetic method has been developed for the formation of variously substituted polycyclic pyrimidoazepine derivatives, formed by nucleophilic substitution reactions on the corresponding chloro‐substituted compounds; the reactions can be promoted either by conventional heating in basic solutions or by microwave heating in solvent‐free systems. Thus, (6RS)‐6,11‐dimethyl‐3,5,6,11‐tetrahydro‐4H‐benzo[b]pyrimido[5,4‐f]azepin‐4‐one, C14H15N3O, (I), was isolated from a solution containing (6RS)‐4‐chloro‐8‐hydroxy‐6,11‐dimethyl‐6,11‐dihydro‐5H‐benzo[b]pyrimido[5,4‐f]azepine and benzene‐1,2‐diamine; (6RS)‐4‐butoxy‐6,11‐dimethyl‐6,11‐dihydro‐5H‐benzo[b]pyrimido[5,4‐f]azepin‐8‐ol, C18H23N3O2, (II), was formed by reaction of the corresponding 6‐chloro compound with butanol, and (RS)‐4‐dimethylamino‐6,11‐dimethyl‐6,11‐dihydro‐5H‐benzo[b]pyrimido[5,4‐f]azepin‐8‐ol, C16H20N4O, (III), was formed by reaction of the chloro analogue with alkaline dimethylformamide. (6RS)‐N‐Benzyl‐8‐methoxy‐6,11‐dimethyl‐6,11‐dihydro‐5H‐benzo[b]pyrimido[5,4‐f]azepin‐4‐amine, C22H24N4O, (IV), (6RS)‐N‐benzyl‐6‐methyl‐1,2,6,7‐tetrahydropyrimido[5′,4′:6,7]azepino[3,2,1‐hi]indol‐8‐amine, C22H22N4, (V), and (7RS)‐N‐benzyl‐7‐methyl‐2,3,7,8‐tetrahydro‐1H‐pyrimido[5′,4′:6,7]azepino[3,2,1‐ij]quinolin‐9‐amine, C23H24N4, (VI), were all formed by reaction of the corresponding chloro compounds with benzylamine under microwave irradiation. In each of compounds (I)–(IV) and (VI), the azepine ring adopts a conformation close to the boat form, with the C‐methyl group in a quasi‐equatorial site, whereas the corresponding ring in (V) adopts a conformation intermediate between the twist‐boat and twist‐chair forms, with the C‐methyl group in a quasi‐axial site. No two of the structures of (I)–(VI) exhibit the same range of intermolecular hydrogen bonds: different types of sheet are formed in each of (I), (II), (V) and (VI), and different types of chain in each of (III) and (IV). 相似文献
37.
Mario A. Macías Lina M. Acosta Carlos M. Sanabria Alirio Palma Pascal Roussel Gilles H. Gauthier Leopoldo Suescun 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(5):363-372
Tetrahydro‐1‐benzazepines have been described as potential antiparasitic drugs for the treatment of chagas disease and leishmaniasis, two of the most important so‐called `forgotten tropical diseases' affecting South and Central America, caused by Trypanosoma cruzi and Leishmania chagasi parasites, respectively. Continuing our extensive work describing the structural characteristics of some related compounds with interesting biological properties, the crystallographic features of three epoxy‐1‐benzazepines, namely (2SR,4RS)‐6,8‐dimethyl‐2‐(naphthalen‐1‐yl)‐2,3,4,5‐tetrahydro‐1H‐1,4‐epoxy‐1‐benzazepine, (1), (2SR,4RS)‐6,9‐dimethyl‐2‐(naphthalen‐1‐yl)‐2,3,4,5‐tetrahydro‐1H‐1,4‐epoxy‐1‐benzazepine, (2), and (2SR,4RS)‐8,9‐dimethyl‐2‐(naphthalen‐1‐yl)‐2,3,4,5‐tetrahydro‐1H‐1,4‐epoxy‐1‐benzazepine, (3), all C22H21NO, and two 1‐benzazepin‐4‐ols, namely 7‐fluoro‐cis‐2‐[(E)‐styryl]‐2,3,4,5‐tetrahydro‐1H‐1‐benzazepin‐4‐ol, C18H18FNO, (4), and 7‐fluoro‐cis‐2‐[(E)‐pent‐1‐enyl]‐2,3,4,5‐tetrahydro‐1H‐1‐benzazepin‐4‐ol, C15H20FNO, (5), are described. Some peculiarities in the crystallization behaviour were found, involving significant variations in the crystalline structures as a result of modest changes in the peripheral substituents in (1)–(3) and the occurrence of discrete disorder due to the molecular overlay of enantiomers with more than one conformation in (5). In particular, an interesting phase change on cooling was observed for compound (5), accompanied by an approximate fourfold increase of the unit‐cell volume and a change of the Z′ value from 1 to 4. This transition is a consequence of the partial ordering of the pentenyl chains in half of the molecules breaking half of the symmetry axes observed in the room‐temperature structure of (5). The structural assembly in all the title compounds is characterized by not only (N,O)—H…(O,N) hydrogen bonds, but also by unconventional C—H…O contacts, resulting in a wide diversity of packing. 相似文献
38.
Vladimir Kouznetsov Palma R. Alirio Sandra Salas Leonor Y. Vargas Jairo Ren Martinez Fedor Zubkov Alexei Varlamov 《Journal of heterocyclic chemistry》1997,34(5):1591-1595
The synthesis of new spiro derivatives of tetrahydro-2-benzazepine was accomplished and their nitration, bromination, allylation, acetylation, formylation and oxidation reactions were studied. Nitration and bromi-nation of 5-methyl(1,5-dimethyl)-1,2,4,5-tetrahydrospiro[3H-2-benzazepine-3,1-cycloalkane] took place regioselectively on position C-8 of the phenyl ring. A nitrone was obtained for the first time in the title series. The structures of the compounds were established by ir and nmr spcctroscopy. 相似文献
39.
Alirio Palma Wilson Rozo Elena Stashenko Daniel Molina Vladimir Kouznetsov 《Journal of heterocyclic chemistry》1998,35(1):183-188
New derivatives of 3 ,4-dihydrospiro[cycloalkane-1′,2(1H)-quinolines] were obtained from cycloheptanone and cyclooctanone via facile three steps hetero spiro annulation process. Their nitro derivatives were prepared through electrophilic substitution reactions. 相似文献
40.
Vladimir Kouznetsov Alirio PalmaWilson Rozo Elena StashenkoAli Bahsas Juan Amaro-Luis 《Tetrahedron》2003,59(3):419-425
The transformation of N-substituted 3,4-dihydrospiro[quinoline-2,1′-cyclohexanes] 2 and 3 has been examined in strong acid media, at elevated temperature. It was demonstrated that the N-(γ-cyanopropyl) spirodihydroquinolines 2 in the presence of concentrated sulfuric acid or PPA underwent hydrolysis affording the γ-aminoacids 3. The spirodihydroquinoline ring rearrangement readily produces 4-(2-oxopyrrolidinyl-1)spiro[indane-1,1′-cyclohexanes] 5 in good yields. The structures of all synthesized compounds were established by means of homonuclear and inverse-detected 2D NMR experiments. 相似文献