首页 | 本学科首页   官方微博 | 高级检索  
相似文献
 共查询到20条相似文献,搜索用时 24 毫秒
1.
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   

2.
In the title compound, [Co(C5H3N2O4)2(H2O)2]·C10H8N2, the Co atom is trans‐coordinated by two pairs of N and O atoms from two monoanionic 4,5‐di­carboxy­imidazole ligands, and by two O atoms from two coordinated water mol­ecules, in a distorted octahedral geometry. The 4,4′‐bi­pyridine solvent molecule is not involved in coordination but is linked by an N—H⋯N hydrogen bond to the neutral [Co(C5H3N2O4)2(H2O)2] mol­ecule. Both mol­ecules are located on inversion centers. The crystal packing is stabilized by N—H⋯N and O—H⋯O hydrogen bonds, which produce a three‐dimensional hydrogen‐bonded network. Offset π–π stacking interactions between the pyridine rings of adjacent 4,4′‐bi­pyridine molecules were observed, with a face‐to‐face distance of 3.345 (1) Å.  相似文献   

3.
The title complex, 2CH4N2S·C4H6O4, is a host–guest system. The asymmetric unit consists of one complete thio­urea mol­ecule and one‐half of a dimethyl oxalate mol­ecule lying on an inversion centre. The host thio­urea mol­ecules are connected to form zigzag chains by N—H⋯S hydrogen bonds. The guest dimethyl oxalate mol­ecules provide O‐atom acceptors for N—H⋯O hydrogen bonds, thus inter­connecting the chains of thio­urea mol­ecules to form completely connected sheets. The reduction in temperature from 300 to 100 K leaves the structure unchanged and still isostructural with that previously determined for the analogous thio­urea–diethyl oxalate (2/1) complex. It does, however, induce closer packing of the mol­ecules, general shrinkage of the unit cell and shortening of the hydrogen bonds, these last two to the extent of 1–2%.  相似文献   

4.
In the title compound, C10H9N2+·C9H5INO4S·2H2O, the 4,4′‐bi­pyridine mol­ecule is protonated at one of the pyridine N atoms. These moieties self‐assemble into a supramolecular chain along the a axis through N—H⋯N hydrogen bonds. The quinolinol OH group acts as a donor with respect to a sulfonate O atom [O—H⋯O(sulfonate)] and acts as an acceptor with respect to a C—H group of ferron [C—H⋯O(hydroxy)], forming a supramolecular chain along the b axis. These two types of supramolecular chains (one type made up of bi­pyridine motifs and the other made up of sulfoxine motifs) interact viaπ–π stacking, generating a three‐dimensional framework. These chains are further crosslinked by C—­H⋯O hydrogen bonds and O—H⋯O hydrogen bonds involving water mol­ecules.  相似文献   

5.
Moxifloxacin, a novel fluoro­quinolone with a broad spectrum of anti­bacterial activity, is available as the solvated monohydro­chloride salt 7‐[(S,S)‐2‐aza‐8‐azoniabicyclo­[4.3.0]non‐8‐yl]‐1‐cyclo­propyl‐6‐fluoro‐8‐meth­oxy‐4‐oxo‐1,4‐dihydroquinoline‐3‐carboxylic acid chloride–water–methanol (2/1/1), C21H25FN3O4+·Cl·0.5H2O·0.5CH3OH. The asymmetric unit contains two cations, two chloride ions, a mol­ecule of water and one methanol mol­ecule. The two cations adopt conformations that differ by an almost 180° rotation with respect to the piperidinopyrrolidine side chain. The cyclo­propyl ring and the meth­oxy group are not coplanar with the quinoline ring system. The carboxylic acid function, the protonated terminal piperidyl N atom, the water mol­ecule, the chloride ion and the methanol mol­ecule participate in O—H⋯O, O—H⋯Cl, N—H⋯O and N—H⋯Cl hydrogen bonding, linking the mol­ecules into extended two‐dimensional networks.  相似文献   

6.
The asymmetric unit of the title compound, {[Cu(C4O4)(C6H6N2O)2(H2O)2]·2H2O}n, consists of one pyridine‐4‐carbox­amide (isonicotinamide or ina) ligand, one‐half of a squarate dianion, a coordinated aqua ligand and a solvent water mol­ecule. Both the CuII and the squarate ions are located on inversion centers. The CuII ions are octa­hedrally surrounded by four O atoms of two water mol­ecules and two squarate anions, and by two N atoms of the isonicotinamide ligands. The crystal structure contains chains of squarate‐1,3‐bridged CuII ions. These chains are held together by N—H⋯O and O—H⋯O inter­molecular hydrogen‐bond inter­actions, forming an extensive three‐dimensional network.  相似文献   

7.
The title compounds, namely di­methyl (2RS)‐2,3‐di­phenyl‐1,3‐thia­zolidine‐5‐spiro‐2′‐adam­antane‐4,4‐di­carboxyl­ate methanol sol­vate, C28H31NO4S·0.275CH4O, and di­methyl (4RS)‐3,4‐di­phenyl‐1,3‐thia­zolidine‐5‐spiro‐9′‐(9′H‐fluorene)‐2,2‐di­car­box­ylate, C31H25NO4S, were obtained from dipolar [2+3]‐cyclo­additions of an azo­methine yl­ide with adamantane­thione and thio­fluorenone, respectively. The structures show that the choice of thio­ketone affects the regioselectivity of the cyclo­addition. The asymmetric unit of the former structure contains two mol­ecules of the thia­zolidine derivative plus a site for a partial occupancy (55%) methanol mol­ecule. O—H⋯O and C—H⋯O interactions link two of each of these entities into closed centrosymmetric hexamers. The five‐membered ring in each structure has an envelope conformation.  相似文献   

8.
In the title salt, 1,3‐bis­{[2‐(2‐pyridinio)eth­yl][2‐(2‐pyrid­yl)ethyl]amino}benzene diperchlorate dihydrate, C34H38N62+·2ClO4·2H2O, the cation contains two ethyl­pyrid­yl and two ethyl­pyridinium pendant pairs anchored to the two N atoms of 1,3‐phenyl­enediamine. The pyrid­yl and pyridinium N atoms are flanked by a mol­ecule of water through strong hydrogen‐bonding inter­actions [N—H⋯O = 2.762 (6) and 2.758 (6) Å, and O—H⋯N = 2.834 (6) and 2.839 (6) Å]. The water mol­ecules have weak hydrogen‐bonding inter­actions with the perchlorate anions as well. One of the perchlorate anions is severely disordered.  相似文献   

9.
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   

10.
A new type of thio­phene derivative having α‐thio­ketone groups at the 3‐ and 4‐positions, viz. the title compound, C22H20O4S3, has been prepared and studied by NMR spectroscopy and single‐crystal X‐ray diffraction techniques. The mol­ecule is nearly planar, the dihedral angles between the essentially planar thio­phene and benzene rings being 9.4 (1) and 10.6 (1)°. One of the thio­ketone O atoms is involved in an inter­molecular C—H⋯O hydrogen‐bonding inter­action.  相似文献   

11.
Crystals of 2,4,6‐tri­amino‐1,3,5‐triazin‐1‐ium levulinate (4‐oxo­pentanoate) monohydrate, C3H7N6+·C5H7O3·H2O, are formed via self‐assembled hydrogen bonding by cocrystallization of mel­amine and levulinic acid. Two N—H⋯N hydrogen bonds and four N—H⋯O hydrogen bonds connect two melaminium entities such that each of two pairs of N—H⋯O bonds bridges two H atoms belonging to the amine groups of two different melaminium cations via the carbonyl O atom of one levulinate mol­ecule.  相似文献   

12.
The structure of the title compound, fac‐[ReBr(C14H12N2O)(CO)3]·CH4O, consists of neutral mononuclear mol­ecular units of distorted octahedral geometry, with the three carbonyl donors in a facial orientation. The remaining coordination sites are occupied by the Br atom, the pyridine N atom and the ketone O‐atom donor of the ligand. The mol­ecules pack in stacks of antiparallel tapes, with a network of classical (O—H⋯Br) and non‐classical (C—H⋯O) hydrogen bonds between the methanol solvent mol­ecule and the complex mol­ecule.  相似文献   

13.
The title complex, [Cd2(C11H14N3O3)2(NCS)2(CH4O)2], is an inter­esting thio­cyanate‐bridged dinuclear cadmium(II) compound. It is located on a crystallographic inversion center. The CdII atom is six‐coordinated in an octa­hedral configuration by one O and two N atoms of one Schiff base ligand and by the terminal N atom of a bridging thio­cyanate ligand, defining the basal plane, and by the terminal S atom of another bridging thio­cyanate ligand and by the O atom of a coordi­nated methanol mol­ecule, occupying the axial positions. The mol­ecules are linked through inter­molecular O—H⋯O hydrogen bonds, forming chains running along the b axis.  相似文献   

14.
The title compound, C14H19N3OS, is in the thio­keto form, with the thione S and hydrazine N atoms cis with respect to each other so that the S atom is involved in inter‐ and intra­molecular hydrogen bonds simultaneously. Inter­molecular C—H⋯S and C—H⋯O hydrogen bonds result in one‐dimensional polymeric chains of mol­ecules along the a axis. A weak C—H⋯π ring inter­action binds the polymeric chains together.  相似文献   

15.
The crystals of the title compound, [Mg(C32H16N8)(H2O)]·2C3H9N, are built up from MgPc(H2O) [Pc is phthalo­cyaninate(2−)] and n‐propyl­amine mol­ecules that inter­act via O—H⋯N hydrogen bonds. The MgPc(H2O) mol­ecule is non‐planar. The central Mg atom is coordinated by the four equatorial isoindole N atoms of the Pc ring system and by the O atom of an axial water mol­ecule. The Mg atom is displaced by 0.509 (1) Å from the N4 plane towards the water O atom. MgPc(H2O)·2(n‐propyl­amine) mol­ecules related by the inversion centre are linked by N—H⋯O hydrogen bonds to form a dimeric aggregate.  相似文献   

16.
In 3,4‐di‐2‐pyridyl‐1,2,5‐oxadiazole (dpo), C12H8N4O, each mol­ecule resides on a twofold axis and inter­acts with eight neighbours via four C—H⋯N and four C—H⋯O inter­actions to generate a three‐dimensional hydrogen‐bonded architecture. In the perchlorate analogue, 2‐[3‐(2‐pyrid­yl)‐1,2,5‐oxadiazol‐4‐yl]pyridinium perchlorate, C12H9N4O+·ClO4 or [Hdpo]ClO4, the [Hdpo]+ cation is bisected by a crystallographic mirror plane, and the additional H atom in the cation is shared by the two pyridyl N atoms to form a symmetrical intra­molecular N⋯H⋯N hydrogen bond. The cations and perchlorate anions are linked through C—H⋯O hydrogen bonds and π–π stacking inter­actions to form one‐dimensional tubes along the b‐axis direction.  相似文献   

17.
In the crystal structure of 2,2′‐bipyridinium(1+) bromide monohydrate, C10H9N2+·Br·H2O, the cation has a cisoid conformation with an intramolecular N—H⋯N hydrogen bond. The cation also forms an N—H⋯O hydrogen bond to an adjacent water mol­ecule, which in turn forms O—H⋯Br hydrogen bonds to adjacent Br anions. In this way, a chain is formed extending along the b axis. Additional interactions (C—H⋯Br and π–π) serve to stabilize the structure further.  相似文献   

18.
In the title compound, [FeII(NCS)2(CH6N4S)2], the FeII cation is surrounded by two S atoms and two N atoms from thio­carbohydrazide groups and by two N atoms from thio­cyanate groups. The geometry around the FeII cation, which is located on a center of inversion, is distorted octa­hedral. The thio­carbohydrazide mol­ecule assumes a cistrans conformation, which is reinforced by an N—H⋯N hydrogen bond. Mol­ecules of the title compound are connected via inter­molecular N—H⋯S and N—H⋯N hydrogen bonds to form a three‐dimensional network structure.  相似文献   

19.
Solvent‐free (2S)‐methyl 2‐ammonio‐3‐(4‐hydroxy­phenyl)­propionate chloride, C10H14NO3+·Cl, (I), and its methanol solvate, C10H14NO3+·Cl·CH3OH, (II), are obtained from different solvents: crystallization from ethanol or propan‐2‐ol gives the same solvent‐free crystals of (I) in both cases, while crystals of (II) were obtained by crystallization from methanol. The structure of (I) is characterized by the presence of two‐dimensional layers linked together by N—H⋯Cl and O—H⋯Cl hydrogen bonds and also by C—H⋯O contacts. Incorporation of the methanol solvent mol­ecule in (II) introduces additional O—H⋯O hydrogen bonds linking the two‐dimensional layers, resulting in the formation of a three‐dimensional network.  相似文献   

20.
3β‐Hydr­oxy‐7‐drimen‐12,11‐olide hemihydrate, C15H22O3·0.5H2O, (I), has two sesquiterpene mol­ecules and one water mol­ecule in the asymmetric unit. The OH groups of both mol­ecules and both H atoms of the water mol­ecule are involved in near‐linear inter­molecular hydrogen bonds, having O⋯O distances in the range 2.632 (3)–2.791 (2) Å. 3β‐Acet­oxy‐7‐drimen‐12,11‐olide, C17H24O4, (II), has its ring system in very nearly the same conformation as the two mol­ecules of (I).  相似文献   

设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号