共查询到20条相似文献,搜索用时 15 毫秒
1.
Jií Dostl Zdirad
k Marek Ne
as Jií Slavík Milan Pot
ek 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):651-652
Protopine hydrochloride (5,6,14,14a‐tetrahydro‐14a‐hydroxy‐7‐methyl‐8H‐bis[1,3]benzodioxolo[5,6‐a:4,5‐g]quinolizinium chloride, C20H20NO5+·Cl?) is the salt of the isoquinoline alkaloid protopine. It is formed by the action of dilute hydrochloric acid on the protopine free base. The N‐methyl and hydroxyl groups are in a trans configuration in the quinolizine ring and the central quinolizine N—C bond is unusually long [1.579 (2) Å]. The crystal is a racemate. 相似文献
2.
Andrew Hempel Norman Camerman Donald Mastropaolo Arthur Camerman 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1048-1049
In the title compound, dimethyl({5‐[2‐(1‐methylamino‐2‐nitroethenylamino)ethylthiomethyl]‐2‐furyl}methyl)ammonium chloride, C13H23N4O3S+·Cl?, protonation occurs at the dimethylamino N atom. The ranitidine molecule adopts an eclipsed conformation. Bond lengths indicate extensive electron delocalization in the N,N′‐dimethyl‐2‐nitro‐1,1‐ethenediamine system of the molecule. The nitro and methylamino groups are trans across the side chain C=C double bond, while the ethylamino and nitro groups are cis. The Cl? ions link molecules through hydrogen bonds. 相似文献
3.
Masood Parvez M. Saeed Arayne Rizwana Sabri Najma Sultana 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e398-e399
The absolute configuration was determined for the title compound, C38H70NO13+·Cl?·3.5H2O. The cation contains a 14‐membered macrocyclic lactone and two sugars, namely cladinose and desosamine. The six‐membered rings of the sugars adopt chair conformations. The structure is stabilized by strong hydrogen bonds, with O?O distances in the range 2.486 (9)–2.830 (5) Å; other distances are N?O = 2.860 (5), N?Cl = 3.134 (4) and O?Cl = 3.303 (4) Å. 相似文献
4.
Balasubramanian Sridhar Krishnan Ravikumar 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o108-o110
Dorzolamide hydrochloride [systematic name: (4S)‐trans‐4‐ethylammonio‐6‐methyl‐5,6‐dihydro‐4H‐thieno[2,3‐b]thiopyran‐2‐sulfonamide 7,7‐dioxide chloride], C10H17N2O4S2+·Cl−, belongs to a class of drugs called carbonic anhydrase inhibitors. The ethylammonio side chain is in an extended conformation and is protonated at the N atom, which is hydrogen bonded to the Cl− anion. The dihedral angle between the planes of the thiophene ring and the sulfonamide group is 80.7 (1)°. A comparison is made with the dorzolamide bound in human carbonic anhydrase in the solid state. Hydrogen bonding is mediated by Cl− anions, resulting in indirect connectivity between the molecules. 相似文献
5.
John Giantsidis Mark M. Turnbull 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):334-335
The title compound, 2‐amino‐5‐carboxypyridinium chloride, C6H7N2O2+·Cl?, was isolated from a 1 M HCl aqueous solution containing 2‐amino‐5‐cyanopyridine. The structure is held together by extensive hydrogen bonding between the chloride ions and the carboxylic acid, amino and pyridinium H atoms. The molecules pack as sheets, with the sheets at a distance of 3.21 (3) Å from one another. 相似文献
6.
Andrew Hempel Lilian Y. Y. Ma Arthur Camerman Donald Mastropaolo Norman Camerman 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):o681-o682
In the crystal structure of the title dopaminergic compound, C16H24NO2+·Br−·H2O, protonation occurs at the piperidine N atom. The piperidine ring adopts a chair conformation and the cyclohexene ring adopts a half‐chair conformation; together with the planar benzene ring, this results in a relatively planar shape for the whole molecule. Classical hydrogen bonds (N—H⋯Br, O—H⋯Br and O—H⋯O) produce an infinite three‐dimensional network. Hydrogen bonds between water molecules and Br− anions create centrosymmetric rings throughout the crystal structure. Structural comparison of the molecule with the ergoline dopamine agonist pergolide shows that it is the hydrogen‐bond‐forming hydroxy or imino group that is necessary for dopaminergic activity, rather than the presence of a phenyl or a pyrrole ring per se. 相似文献
7.
Kyung‐Lae Park Byoung‐Gi Moon Sang‐Hun Jung Jin‐Gyu Kim Il‐Hwan Suh 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1247-1250
The title compound, (S)‐(+)‐4‐[5‐(2‐oxo‐4,5‐dihydroimidazol‐1‐ylsulfonyl)indolin‐1‐ylcarbonyl]anilinium chloride (S)‐(+)‐1‐[1‐(4‐aminobenzoyl)indoline‐5‐sulfonyl]‐4‐phenyl‐4,5‐dihydroimidazol‐2‐one, C24H23N4O4S+·Cl?·C24H22N4O4S, crystallizes in space group C2 from a CH3OH/CH2Cl2 solution. In the crystal structure, there are two different conformers with their terminal C6 aromatic rings mutually oriented at angles of 67.69 (14) and 61.16 (15)°. The distances of the terminal N atoms (of the two conformers) from the chloride ion are 3.110 (4) and 3.502 (4) Å. There are eight distinct hydrogen bonds, i.e. four N—H?Cl, three N—H?O and one N—H?N, with one N—H group involved in a bifurcated hydrogen bond with two acceptors sharing the H atom. C—H?O contacts assist in the overall hydrogen‐bonding process. 相似文献
8.
Karl Hensen Bjrn Spangenberg Michael Bolte 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):208-210
The crystal and molecular structures of two phenanthroline hydrochlorides have been determined at 173 K. 1,10‐Phenanthrolin‐1‐ium chloride, C12H9N2+·Cl?, crystallizes in two stacks of exactly planar molecules. Both stacks are approximately parallel to the (02) plane and the planes composing the different stacks enclose an angle of 13.29 (3)°. Tris(1,10‐phenanthrolin‐1‐ium) dichloride (hydrogen chloride) chloride chloroform solvate, 3C12H9N2+·2Cl?·HCl·Cl?·CHCl3, displays an interesting network of Cl? mediated hydrogen bonds between the two different phenanthrolinium moieties and between a phenanthrolinium and the chloroform solvate. In addition, a hydrogen bond between the HCl and the third Cl? ion is formed. The C—N—C angle at the protonated N atoms is, in all phenanthrolinium units of both structures, significantly larger than the C—N—C angle at the non‐protonated N atom. 相似文献
9.
A-86929, a dopamine D1 agonist was synthesized with 95% ee in five steps with overall yield of 56% via catalytic enantioselective one-pot aziridination followed by Friedel-Crafts cyclization and a mild Pictet-Spengler cyclization protocol. 相似文献
10.
A. V. Yatsenko V. V. Chernyshev A. I. Kurbakov H. Schenk 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):892-894
The crystal structure of the title compound, (4‐aminophenyl)phenyldiazenium chloride, C12H12N3+·Cl?, was determined from X‐ray laboratory powder data, and the protonation on the azo group was confirmed by the neutron powder data. The cations form stacks along [100], while the chloride anions form hydrogen bonds to all three H atoms attached to N atoms. The absorption maximum of the crystalline salt is shifted bathochromically by 850 cm?1, compared with that in ethanol solution. 相似文献
11.
Rajesh Malhotra Amit Ghosh Rajib Ghosh Sagar Chakrabarti Swarup Dutta Tushar K. Dey Subho Roy Sourav Basu Saumen Hajra 《Tetrahedron: Asymmetry》2011,22(14-15):1522-1529
A scalable asymmetric synthesis of trans-2-amino-6,7-dimethoxy-1-phenyltetralin 2 and its N-nosyl derivative 12 have been achieved from Garner aldehyde derived from easily available d-serine using a stereoselective PhMgBr addition, Wittig reaction and TFA-mediated Friedel–Crafts cyclization as the key steps. The synthesis of dihydrexidine is accomplished from the N-nosyl-2-amino-1-phenyltetralin 12. 相似文献
12.
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
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.
A concise asymmetric synthesis of first, high affinity domaine D1 full agonist, dihydrexidine has been accomplished via catalytic enantioselective aziridination and subsequent one-pot Friedel-Crafts cyclization of an in situ generated tethered aziridine with high diastereo- and enantioselectivities. 相似文献
15.
The structures of two conformationally similar 1,4‐dihydropyrimidines with a novel carbamoyl substitution, viz. 6‐methyl‐5‐(N‐methylcarbamoyl)‐4‐phenyl‐1,2,3,4‐tetrahydropyrimidine‐2‐thione monohydrate, C13H15N3OS·H2O, (I), and 4‐(4‐chlorophenyl)‐6‐methyl‐5‐(N‐methylcarbamoyl)‐1,2,3,4‐tetrahydropyrimidine‐2‐thione monohydrate, C13H14ClN3OS·H2O, (II), exhibit the structural features of 1,4‐dihydropyridine calcium channel blockers. In both structures, the pyrimidine ring adopts a flattened boat conformation and the carbamoyl side chain is in an extended conformation with an anticlinal orientation. The phenyl ring occupies a pseudo‐axial position with respect to the pyrimidine ring in these structures. Both compounds crystallize with one molecule of water, which participates in a two‐dimensional hydrogen‐bonding network. The molecules are linked into dimers by N—H·S hydrogen bonds in both structures. 相似文献
16.
Dale C. Swenson Vasu Nair Sanjib Bera 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e600-e601
We have synthesized a dideoxydidehydronucleoside derivative, 2(S)‐acetoxymethyl‐4‐[4‐amino‐2‐oxopyrimidin‐1(2H)‐yl]‐2,5‐dihydrofuran, C11H13N3O4, which is an analogue of the potently anti‐HIV active compound, dideoxy‐didehydrocytidine (d4C). The target compound crystallizes with two molecules in the asymmetric unit that differ primarily in the orientation of the C6′‐acetyl group. One molecule has an extended conformation and the orientation of the acetyl group in the second molecule gives an unusual hooked‐shaped conformation. The two conformers form A–B dimers via N—H?N hydrogen bonds. The dimers link via N—H?O hydrogen bonds to form chains parallel to the b cell axis. 相似文献
17.
[structure: see text]. 2-Fluoro-11-hydroxy-N-propylnoraporphine 4 (2-F-11-OH-NPa) was synthesized from thebaine in 13 steps with an overall yield of 1.35%. The key steps included the Pd-catalyzed 3-dehydroxylation of 14-hydroxymorphine, S(N)2 substitution of Ts(-) by F(-), and CH(3)SO(2)OH-promoted rearrangement of the substituted morphinandiene. The dopamine binding affinity of this compound was also investigated on rat brain membranes, and as expected, this compound displayed high affinity and selectivity at the D(2) receptor. 相似文献
18.
Tali Lavy Yana Sheynin Moshe Kapon Menahem Kaftory 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o50-o53
The crystal structures of three 1:2 inclusion compounds that consist of host molecule 2,5‐diphenylhydroquinone (C18H14O2) and the guest molecules 2‐pyridone (C5H5NO), 1,3‐diphenyl‐2‐propen‐1‐one (chalcone, C15H12O) and 1‐(4‐methoxyphenyl)‐3‐phenyl‐2‐propen‐1‐one (4′‐methoxychalcone, C16H14O2) were determined in order to study the ability of guest molecules in inclusion compounds to undergo photoreaction. All of the crystals were found to be photoresistant. The three inclusion compounds crystallize in triclinic space group . In each case, the host/guest ratio is 1:2, with the host molecules occupying crystallographic centers of symmetry and the guest molecules occupying general positions. The guest molecules in each of the inclusion compounds are linked to the host molecules by hydrogen bonds. In the inclusion compound where the guest molecule is pyridone, the host molecule is disordered so that the hydroxy groups are distributed between two different sites, with occupancies of 0.738 (3) and 0.262 (3). The pyridone molecules form dimers via N—H⋯O hydrogen bonds. 相似文献
19.
Cara L. Nygren M. E. T. Bragg John F. C. Turner 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m275-m276
In the title compound, [K(C4H8O)][ZrCl2(C12H8N)3(C4H8O)], the Zr atom is pseudo‐octahedral, with two Cl ligands in trans positions. There is extensive interaction between the potassium cation and two of the aromatic carbazolyl ligands in η6 [C⃛K = 3.167 (3)–3.331 (3) Å] and η2 [C⃛K = 3.147 (3)–3.268 (2) Å] fashions. 相似文献
20.
Vassilis J. Demopoulos Antonis Gavalas George Rekatas Ekaterini Tani 《Journal of heterocyclic chemistry》1995,32(4):1145-1148
In this work, the synthesis of 6,7,8,9-tetrahydro-N,N-di -n-propyl-1H-benz[g]indol-7-amine (1) is described. This compound was designed as an indole bioisostere to the known dopamine receptor agonist 5-OH-aminotetraline 2 . The key step of the synthesis was a Mukaiyama type aldol condensation between the dimethyl acetal of 1-(p-toluenesulfonyl)pyrrole-3-acetaldehyde ( 4 ) and 4-di-n-propylamino-1-trimethylsilyloxycyclohexene ( 8 ) followed by cycloaromatization to afford 1-p-toluenesulfonyl-6,7,8,9-tetrahydro-N,N-di-n- propyl-1H-benz[g]indol-7-amine ( 10 ). Scission of the sulfonamide bond in 10 gave the target compound 1 . A byproduct which was isolated was assigned to the structure of 1-(p-toluenesul-fonyl)-6-[3-[1-(p-toluenesulfonyl)]pyrrolyl]indole ( 11 ). This compound was also synthesized in good yield by an acid catalyzed dimerization of the dimethyl acetal of 1-(p-toluenesulfonyl)pyrrole-3-acetaldehyde ( 4 ). Preliminary screening of 1 indicated that it possesses central dopamine receptor agonist properties. 相似文献