共查询到20条相似文献,搜索用时 15 毫秒
1.
Guillaume Journot Reinhard Neier Helen Stoeckli‐Evans 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(3):o119-o122
In the title compounds, C11H18N2, (II), and C13H20N2O, (III), the pyrrolidine rings have twist conformations. Compound (II) crystallizes with two independent molecules (A and B) in the asymmetric unit. The mean planes of the pyrrole and pyrrolidine rings are inclined to one another by 89.99 (11) and 89.35 (10)° in molecules A and B, respectively. In (III), the amide derivative of (II), the same dihedral angle is much smaller, at only 13.42 (10)°. In the crystal structure of (II), the individual molecules are linked via N—H...N hydrogen bonds to form inversion dimers, each with an R22(12) graph‐set motif. In the crystal structure of (III), the molecules are linked via N—H...O hydrogen bonds to form inversion dimers with an R22(16) graph‐set motif. 相似文献
2.
An efficient one‐pot synthesis of 3‐[(4,5‐dihydro‐1H‐pyrrol‐3‐yl)carbonyl]‐2H‐chromen‐2‐one (=3‐[(4,5‐dihydro‐1H‐pyrrol‐3yl)carbonyl]‐2H‐1‐benzopyran‐2‐one) derivatives 4 by a four‐component reaction of a salicylaldehyde 1 , 4‐hydroxy‐6‐methyl‐2H‐pyran‐2‐one, a benzylamine 2 , and a diaroylacetylene (=1,4‐diarylbut‐2‐yne‐1,4‐dione) 3 in EtOH is reported. This new protocol has the advantages of high yields (Table), and convenient operation. The structures of these coumarin (=2H‐1‐benzopyran‐2‐one) derivatives, which are important compounds in organic chemistry, were confirmed spectroscopically (IR, 1H‐ and 13C‐NMR, and EI‐MS) and by elemental analyses. A plausible mechanism for this reaction is proposed (Scheme 2). 相似文献
3.
Kurosh Rad‐Moghadam Abbas Ali Esmaeili Saeid Amini Ghalandarabad Fereshteh Hoseininejad Seyyed Adel Fallah‐Rasoulinejad Samaneh Kiani 《Journal of heterocyclic chemistry》2014,51(6):1791-1796
The titled products comprising of two mutually merged bioactive nucleuses, 2‐aminobenzo[d]thiazole and 2,5‐dihydropyrrole rings, were obtained from the reaction between dialkyl acetylenedicarboxylates and alkyl 2‐(benzo[d]thiazol‐2‐yl)amino‐2‐oxoacetates in the presence of triphenylphosphine at RT. 相似文献
4.
Eleonora Freire Sergio Baggio Juan Carlos Muoz Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o259-o262
The structures of the mono‐ and sesquihydrates of 2,6‐bis(1H‐benzimidazol‐2‐yl)pyridine (bbip) are reported. Phase (I), C19H13N5·H2O, has one water and one bbip molecule in the asymmetric unit, while phase (II), C19H13N5·1.5H2O, has three water molecules and two bbip molecules in the asymmetric unit. The compounds exhibit very similar molecular geometries but different packing organizations, which result from intricate hydrogen‐bonding schemes. 相似文献
5.
Xue‐Li Zhang Sheng‐Run Zheng Yong‐Ru Liu Xiang‐Li Zheng Cheng‐Yong Su 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o533-o536
The tris(1H‐benzimidazol‐2‐ylmethyl)amine (ntb) molecule crystallizes in different solvent systems, resulting in two kinds of adduct, namely the monohydrate, C24H21N7·H2O or ntb·H2O, (I), and the acetonitrile–methanol–water (1/0.5/1.5) solvate, C24H21N7·C2H3N·0.5CH4O·1.5H2O or ntb·1.5H2O·0.5MeOH·MeCN, (II). In both cases, ntb adopts a tripodal mode to form hydrogen bonds with a solvent water molecule via two N—H⋯O and one O—H⋯N hydrogen bond. In (I), the ntb·H2O adduct is further assembled into a two‐dimensional network by N—H⋯N and O—H⋯N hydrogen bonds, while in (II), a double‐stranded one‐dimensional chain structure is assembled via N—H⋯O and O—H⋯O hydrogen bonds, with the acetonitrile molecules located inside the cavities of the chain structure. 相似文献
6.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o217-o218
The title compound, C16H12N2S, has been synthesized by base‐catalyzed condensation of 1‐methylindole‐3‐carboxaldehyde with thiophene‐3‐acetonitrile. The product assumes an approximately planar Z configuration. The molecule has a thienyl‐ring flip disorder. 相似文献
7.
Bi‐Yun Su Jia‐Xiang Wang Xiang Liu Qian‐Ding Li 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(5):522-525
The title isomers, namely 3‐chloro‐N‐[1‐(1H‐pyrrol‐2‐yl)ethylidene]aniline, (I), and 4‐chloro‐N‐[1‐(1H‐pyrrol‐2‐yl)ethylidene]aniline, (II), both C12H11ClN2, differ in the position of the chlorine substitution. Both compounds have the basic iminopyrrole structure, which shows a planar backbone with similar features. The dihedral angle formed by the planes of the pyrrole and benzene rings is 75.65 (7)° for (I) and 86.56 (8)° for (II). The H atom bound to the pyrrole N atom is positionally disordered and partial protonation occurs at the imino N atom in (I), while this phenomenon is absent from the structure of (II). Packing interactions for both compounds include intermolecular N—H...N hydrogen bonds and C—H...π interactions, forming centrosymmetric dimers for both (I) and (II). 相似文献
8.
Huub Kooijman Anthony L. Spek Marcel Hoogenraad Elisabeth Bouwman Jaap G. Haasnoot Jan Reedijk 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):m390-m392
The title compound, tris[2‐(4,5‐dihydrooxazol‐2‐yl‐κN)phenolato‐κO]iron(III), [Fe(C9H8NO2)3], is disordered over a non‐crystallographic twofold rotation axis perpendicular to the crystallographic threefold rotation axis. The disorder can be a pure rotational disorder of an iron complex in the facial configuration, or the consequence of a mixture of facial and meridional configurations. In the latter case, at least 25% of the iron complexes must adopt the facial configuration in order to obtain the disorder ratio observed in the crystal. 相似文献
9.
Sankar Prasad Dey Dilip Kumar Dey Asok Kumar Mallik Lutz Dahlenburg 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o321-o322
The title compound, 2‐hydroxyphenyl 5‐(pyrrol‐2‐yl)‐3H‐pyrrolizin‐6‐yl ketone, C18H14N2O2, was isolated from the base‐catalyzed 1:2 condensation of 2‐hydroxyacetophenone with pyrrole‐2‐carbaldehyde. The pyrrole N—H and hydroxybenzoyl O—H groups are hydrogen bonded to the benzoyl O atom. The allylic C=C double bond of the 3H‐pyrrolizine system is located between ring positions 1 and 2, the C atom at position 3 (adjacent to the N atom) being single bonded. 相似文献
10.
Laurent F. Groux Davit Zargarian 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e366-e367
The title compound, C23H24BP, crystallizes in the centrosymmetric space group P21/c, with one molecule in the asymmetric unit. The indene moiety is essentially planar. The P—B bond length is 1.923 (3) Å, which is within the expected range. 相似文献
11.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o78-o80
(Z)‐3‐(1H‐Indol‐3‐yl)‐2‐(3‐thienyl)acrylonitrile, C15H10N2S, (I), and (Z)‐3‐[1‐(4‐tert‐butylbenzyl)‐1H‐indol‐3‐yl]‐2‐(3‐thienyl)acrylonitrile, C26H24N2S, (II), were prepared by base‐catalyzed reactions of the corresponding indole‐3‐carboxaldehyde with thiophene‐3‐acetonitrile. 1H/13C NMR spectral data and X‐ray crystal structures of compounds (I) and (II) are presented. The olefinic bond connecting the indole and thiophene moieties has Z geometry in both cases, and the molecules crystallize in space groups P21/c and C2/c for (I) and (II), respectively. Slight thienyl ring‐flip disorder (ca 5.6%) was observed and modeled for (I). 相似文献
12.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o642-o644
The structures of the title compounds, C16H14N4, (I), and C15H14N4, (II), respectively, have been determined, and their molecular packing arrangements compared. Both are essentially flat molecules, with respective dihedral angles between the quinoline and heterocyclic rings of 19.0 (1) and 8.5 (2)°. The pyridyl derivative, (I), packs in a P21/c unit cell, while in the pyrrolyl compound, (II), the molecules pack in Pca21 and form a crinkled ribbon arrangement through the association of pyrrole NH groups with the quinoline N atoms. 相似文献
13.
Jari T. Kovalainen Elina Wegelius Johannes A. M. Christiaans Juhani Huuskonen Jukka Gynther 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):e216-e217
(Cyclohexylmethyloxymethyl)(1H‐imidazol‐4‐iomethyl)‐(S)‐ammonium dichloride, C13H25N3O+·2Cl?, and (4‐bromobenzyl)(1H‐imidazol‐4‐iomethyl)‐(S)‐ammonium dichloride, C13H18BrN3O+·2Cl?, are model compounds with different biological activities for evaluation of the histamine H3‐receptor activation mechanism. Both title compounds occur in almost similar extended conformations. 相似文献
14.
All Solid State Chromium(III) Selective Potentiometric Sensor Based on 2‐(1‐(2‐((3‐(2‐Hydroxyphenyl)‐1H‐pyrozol‐1‐yl)methyl)benzyl)‐1H‐pyrazol‐3‐yl)phenol 下载免费PDF全文
Pankaj Kumar Sanjeev Kumar Sapna Jain Bhawna Y. Lamba Girdhar Joshi Shefali Arora 《Electroanalysis》2014,26(10):2161-2167
Highly selective all solid state electrochemical sensor based on a synthesized compound i.e. 2‐(1‐(2‐((3‐(2‐hydroxyphenyl)‐1H‐pyrozol‐1‐yl)methyl)benzyl)‐1H‐pyrazol‐3‐yl)phenol (I) as an ionophore has been prepared and investigated for the selective quantification of chromium(III) ions. The effect of various plasticizers, viz. dibutyl phosphonate (DBP), dibutyl(butyl) phosphonate (DBBP), nitrophenyl octyl ether (NPOE), tris‐(2‐ethylhexyl)phosphonate (TEP), tri‐butyl phosphonate (TBP), dioctyl phthalate (DOP), dioctyl sebacate (DOS), benzyl acetate (BA) and acetophenone (AP) along with anion excluders NaTPB (sodium tetraphenyl borate) and KClTPB (potassium(tetrakis‐4‐chlorophenyl)borate was also studied. The optimum composition of the best performing membrane contained (I):KClTPB:NPOE:PVC in the ratio 15 : 3 : 40 : 42 w/w. The sensor exhibited near Nernstian slope of 20.1±0.2 mV/decade of activity in the working concentration range of 1.2×10?7–1.0×10?1 M, and in a pH range of 3.8–4.5. The sensor exhibited a fast response time of 10 s and could be used for about 5 months without any considerable divergence in potentials. The proposed sensor showed very good selectivity over most of the common cations including Na+, Li+, K+, Cu2+, Sr2+, Ni2+, Co2+, Ba2+, Hg2+, Pb2+, Zn2+, Cs+, Mg2+, Cd2+, Al3+, Fe3+and La3+. The activity of Cr(III) ions was successfully determined in the industrial waste samples by using this sensor. 相似文献
15.
Dimethyl 2‐{[2‐(methoxycarbonyl)‐1‐(methoxycarbonylmethyl)pyrrol‐4‐yl]methylene}propanedioate
Jan Lokaj Viktor Kettmann Viktor Milata Pavol Hodul Peter Kotta Ognyan Petrov 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):973-974
The title compound, C15H17NO8, is a pyrrole–ethene derivative with potential biological activity. Although a large part of the molecule is planar, there is no structural evidence for any conjugation push–pull effect across the ethylenic bond, which is usually observed for substituted ethylenes; π‐electron delocalization appears to be restricted to the 2‐(methoxycarbonyl)pyrrole moiety. 相似文献
16.
Some new (3,5‐aryl/methyl‐1H‐pyrazol‐1‐yl)‐(5‐arylamino‐2H‐1,2,3‐triazol‐4‐yl)methanones were synthesized and characterized by 1HNMR, 13C NMR, MS, IR spectra data and elemental analyses or high resolution mass spectra (HRMS). During the procedure, Dimroth rearrangement was used in this synthesis. 相似文献
17.
Allan J. Canty R. Thomas Honeyman Brian W. Skelton Allan H. White 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o98-o99
The title compound, C14H13BrN4, has a planar central unit, (C)2C6H3Br, the pendant pyrazole rings forming dihedral angles of 83.8 (3) and 89.3 (3)° with this plane. The pyrazole rings are oriented such that there is an approximate twofold axis coincident with the C—Br bond. 相似文献
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19.
Justyna A. Grzyb Alan J. Lough Robert A. Batey 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o730-o732
In the crystal structure of the title compound, C13H13N3O, the C—Nimidazole bond length of 1.431 (3) Å is shorter than that observed [1.466 (6) Å] in the corresponding carbamoylimidazolium salt 3‐methyl‐1‐(1,2,3,4‐tetrahydroisoquinolin‐2‐ylcarbonyl)imidazolium iodide. A comparision of these compounds is used to highlight the structural differences that occur as a result of the imidazolium effect. Weak C—H⋯O hydrogen bonds link molecules into extended tapes in the a direction. 相似文献
20.
M. Scott Goodman Margaret A. Goodman Andrey Y. Kovalevsky Alexander Y. Nazarenko Donald Pope 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m30-m32
The title copper(II) complex, [Cu(C22H18N6)2](ClO4)2·2C2H3N, comprises two neutral substituted tris(pyrazol‐1‐yl)methane ligands bonded to a central CuII ion, which is positioned on a crystallographic inversion center. Six Cu—N bonds are arranged in a distorted octahedral fashion. The unsubstituted pyrazole rings on each ligand are oriented trans with respect to each other, interdigitated with the two 3‐phenylpyrazole rings of the other ligand. 相似文献