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1.
Alexander S. Lyakhov Ludmila S. Ivashkevich Vladimir L. Survilo Alexander M. Kipnis Tatjana V. Trukhachova 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(9):o365-o368
The title compounds, C8H11NO, (I), and 2C8H12NO+·C4H4O42−, (II), both crystallize in the monoclinic space group P21/c. In the crystal structure of (I), intermolecular O—H...N hydrogen bonds combine the molecules into polymeric chains extending along the c axis. The chains are linked by C—H...π interactions between the methylene H atoms and the pyridine rings into polymeric layers parallel to the ac plane. In the crystal structure of (II), the succinate anion lies on an inversion centre. Its carboxylate groups interact with the 2‐ethyl‐3‐hydroxy‐6‐methylpyridinium cations via intermolecular N—H...O hydrogen bonds with the pyridine ring H atoms and O—H...O hydrogen bonds with the hydroxy H atoms to form polymeric chains, which extend along the [01] direction and comprise R44(18) hydrogen‐bonded ring motifs. These chains are linked to form a three‐dimensional network through nonclassical C—H...O hydrogen bonds between the pyridine ring H atoms and the hydroxy‐group O atoms of neighbouring cations. π–π interactions between the pyridine rings and C—H...π interactions between the methylene H atoms of the succinate anion and the pyridine rings are also present in this network. 相似文献
2.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(3):325-331
Aminopyrimidine derivatives are biologically important as they are components of nucleic acids and drugs. The crystals of two new salts, namely cytosinium 6‐chloronicotinate monohydrate, C4H6N3O+·C6H3ClNO2−·H2O, ( I ), and 5‐bromo‐6‐methylisocytosinium hydrogen sulfate (or 2‐amino‐5‐bromo‐4‐oxo‐6‐methylpyrimidinium hydrogen sulfate), C5H7BrN3O+·HSO4−, ( II ), have been prepared and characterized by single‐crystal X‐ray diffraction. The pyrimidine ring of both compounds is protonated at the imine N atom. In hydrated salt ( I ), the primary R22(8) ring motif (supramolecular heterosynthon) is formed via a pair of N—H…O(carboxylate) hydrogen bonds. The cations, anions and water molecule are hydrogen bonded through N—H…O, N—H…N, O—H…O and C—H…O hydrogen bonds, forming R22(8), R32(7) and R55(21) motifs, leading to a hydrogen‐bonded supramolecular sheet structure. The supramolecular double sheet structure is formed via water–carboxylate O—H…O hydrogen bonds and π–π interactions between the anions and the cations. In salt ( II ), the hydrogen sulfate ions are linked via O—H…O hydrogen bonds to generate zigzag chains. The aminopyrimidinium cations are embedded between these zigzag chains. Each hydrogen sulfate ion bridges two cations via pairs of N—H…O hydrogen bonds and vice versa, generating two R22(8) ring motifs (supramolecular heterosynthon). The cations also interact with one another via halogen–halogen (Br…Br) and halogen–oxygen (Br…O) interactions. 相似文献
3.
Jelena Rogan Dejan Poleti Ljiljana Karanovi 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(7):m230-m233
The novel title coordination polymer, {[Cu(C8H4O4)(C10H9N3)]·H2O}n, synthesized by the slow‐diffusion method, takes the form of one‐dimensional zigzag chains built up of CuII cations linked by benzene‐1,3‐dicarboxylate (ipht) anions. An exceptional characteristic of this structure is that it belongs to a small group of metal–organic polymers where ipht is coordinated as a bridging tridentate ligand with monodentate and chelate coordination of individual carboxylate groups. The CuII cation has a highly distorted square‐pyramidal geometry formed by three O atoms from two ipht anions and two N atoms from a di‐2‐pyridylamine (dipya) ligand. The zigzag chains, which run along the b axis, further construct a three‐dimensional metal–organic framework via strong face‐to‐face π–π interactions and hydrogen bonds. A solvent water molecule is linked to the different carboxylate groups via hydrogen bonds. Thermogravimetric and differential scanning calorimetric analyses confirm the strong hydrogen bonding. 相似文献
4.
Graham Smith Urs D. Wermuth David J. Young 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(7):o345-o348
In the structure of the 1:1 proton‐transfer compound from the reaction of l ‐tartaric acid with the azo‐dye precursor aniline yellow [4‐(phenyldiazenyl)aniline], namely 4‐(phenyldiazenyl)anilinium (2R,3R)‐3‐carboxy‐2,3‐dihydroxypropanoate, C12H12N3+·C4H5O6−, the asymmetric unit contains two independent 4‐(phenyldiazenyl)anilinium cations and two hydrogen l ‐tartrate anions. The structure is unusual in that all four phenyl rings of the two cations have identical rotational disorder with equal occupancy of the conformations. The two hydrogen l ‐tartrate anions form independent but similar chains through head‐to‐tail carboxyl–carboxylate O—H...O hydrogen bonds [graph set C(7)], which are then extended into a two‐dimensional hydrogen‐bonded sheet structure through hydroxy O—H...O hydrogen‐bonded links. The anilinium groups of the 4‐(phenyldiazenyl)anilinium cations are incorporated into the sheets and also provide internal hydrogen‐bonded extensions, while their aromatic tails are layered in the structure without significant association except for weak π–π interactions [minimum ring centroid separation = 3.844 (3) Å]. The hydrogen l ‐tartrate residues of both anions exhibit the common short intramolecular hydroxy–carboxylate O—H...O hydogen bonds. This work provides a solution to the unusual disorder problem inherent in the structure of this salt, as well as giving another example of the utility of the hydrogen tartrate anion in the generation of sheet substructures in molecular assembly processes. 相似文献
5.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):952-954
In the title compound, C6H16N22+·2C2H4O5P?, the cations lie across centres of inversion; in the anions, two of the H‐atom sites have 0.50 occupancy. The anions are linked by short O—H?O hydrogen bonds [O?O 2.465 (3)–2.612 (3) Å and O—H?O 165–171°] into sheets of alternating R(12) and R(28) rings, both of which are centrosymmetric; the cations lie at the centres of the larger rings linked to the anion sheet by N—H?O hydrogen bonds [N?O 2.642 (2) Å and N—H?O 176°]. 相似文献
6.
Daphne E. Keller Huub Kooijman Antoine M. M. Scheurs Jan Kroon Eugeniusz Grech 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):479-480
The structure of the title compound, C14H19N2+·C9H3Cl6O4?·H2O, consists of singly ionized 1,4,5,6,7,7‐hexachlorobicyclo[2.2.1]hept‐5‐ene‐2,3‐dicarboxylic acid anions and protonated 1,8‐bis(dimethylamino)naphthalene cations. In the (8‐dimethylamino‐1‐napthyl)dimethylammonium cation, a strong disordered intramolecular hydrogen bond is formed with N?N = 2.589 (3) Å. The geometry and occupancy obtained in the final restrained refinement suggest that the disordered hydrogen bond may be asymmetric. Water molecules link the anion dimers into infinite chains via hydrogen bonding. 相似文献
7.
Madhukar Hemamalini Packianathan Thomas Muthiah Urszula Rychlewska Agnieszka Plutecka 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o95-o97
In the title compound, C6H10N3+·HSO4−, the asymmetric unit consists of a hydrogen sulfate anion and a 2‐amino‐4,6‐dimethylpyrimidinium cation. The hydrogen sulfate anions self‐assemble through O—H⋯O hydrogen bonds, forming supramolecular chains along the b axis, while the organic cations form base pairs via N—H⋯N hydrogen bonds. The aminopyrimidinium cations join to the sulfate anions via a pair of hydrogen bonds donated from the pyrimidinium protonation site and from the exo amine group cis to the protonated site. 相似文献
8.
Di Sun Geng‐Geng Luo Na Zhang Rong‐Bin Huang Lan‐Sun Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(12):m478-m480
The solution reaction of AgNO3 and 2‐aminopyrazine (apyz) in a 1:1 ratio gives rise to the title compound, [Ag2(NO3)2(C4H5N3)2]n, (I), which possesses a chiral crystal structure. In (I), both of the crystallographically independent AgI cations are coordinated in tetrahedral geometries by two N atoms from two apyz ligands and two O atoms from nitrate anions; however, the AgI centers show two different coordination environments in which one is coordinated by two O atoms from two different symmetry‐related nitrate anions and the second is coordinated by two O atoms from a single nitrate anion. The crystal structure consists of one‐dimensional AgI–apyz chains, which are further extended by μ2‐κ2O:O nitrate anions into a two‐dimensional (4,4) sheet. N—H...O and Capyz—H...O hydrogen bonds connect neighboring sheets to form a three‐dimensional supramolecular framework. 相似文献
9.
Graham Smith Marcus S. Cotton Urs D. Wermuth Sue E. Boyd 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(5):o252-o255
The 1:1 proton‐transfer compound of the potent substituted amphetamine hallucinogen (R)‐2‐amino‐1‐(8‐bromobenzo[1,2‐b;5,4‐b′]difuran‐4‐yl)propane (common trivial name `bromodragonfly') with 3,5‐dinitrosalicylic acid, namely 1‐(8‐bromobenzo[1,2‐b;5,4‐b′]difuran‐4‐yl)propan‐2‐aminium 2‐carboxy‐4,6‐dinitrophenolate, C13H13BrNO2+·C7H3N2O7−, forms hydrogen‐bonded cation–anion chain substructures comprising undulating head‐to‐tail anion chains formed through C(8) carboxyl–nitro O—H...O associations and incorporating the aminium groups of the cations. The intrachain cation–anion hydrogen‐bonding associations feature proximal cyclic R33(8) interactions involving both an N+—H...Ophenolate and the carboxyl–nitro O—H...O associations and aromatic π–π ring interactions [minimum ring centroid separation = 3.566 (2) Å]. A lateral hydrogen‐bonding interaction between the third aminium H atom and a carboxyl O‐atom acceptor links the chain substructures, giving a two‐dimensional sheet structure. This determination represents the first of any form of this compound and is in the (R) absolute configuration. The atypical crystal stability is attributed both to the hydrogen‐bonded chain substructures provided by the anions, which accommodate the aminium proton‐donor groups of the cations and give crosslinking, and to the presence of the cation–anion aromatic ring π–π interactions. 相似文献
10.
Zouaoui Setifi Fatima Setifi Habib Boughzala Adel Beghidja Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(5):465-469
In the title compound, [Fe(C10H8N2)3](C9H5N4O)2·2H2O, the chiral cations lie across twofold rotation axes in the space group C2/c. The anions and the water molecules are linked by two independent O—H...N hydrogen bonds to form C22(8) chains, and these chains are linked by the cations via C—H...N and C—H...O hydrogen bonds to form two interpenetrating three‐dimensional frameworks, each of which contains only one enantiomeric form of the chiral cation. 相似文献
11.
Lidija Andro Pavica Planini Marijana Juri 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(9):o337-o340
The asymmetric unit of the title compound, C10H10N22+·2C2HO4−, consists of one half of a 4,4′‐bipyridinium cation, which has inversion symmetry, and a hydrogen oxalate anion, in which an intramolecular hydrogen bond exists. The cations and anions are connected by O—H...O, N—H...O and C—H...O hydrogen bonds, forming a two‐dimensional network, whereas π–π stacking interactions involving the 4,4′‐bipyridinium cations lead to the formation of a three‐dimensional supramolecular structure. An unusual deca‐atomic ring is formed between two hydrogen oxalate anions, which are linked side‐to‐side via O—H...O hydrogen‐bonding interactions. 相似文献
12.
George Ferguson Alan J. Lough David M. Smith Choudhury M. Zakaria Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):922-923
In the title compound, [Na(C2H3N2O3)], the Na+ cation lies on a centre of inversion in space group P21/m and all the atoms of the anion lie on a mirror plane. Na is octahedrally coordinated by four O and two N atoms from six different anions and each anion is coordinated to six different Na+ cations, forming chains of confacial octahedra which link the anion layers. Within these layers, the individual anions are linked by both O—H?O and C—H?O hydrogen bonds. 相似文献
13.
Urs D. Wermuth Graham Smith Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):o353-o357
The structures of two brucinium (2,3‐dimethoxy‐10‐oxostrychnidinium) salts of the α‐hydroxy acids l ‐malic acid and l ‐tartaric acid, namely brucinium hydrogen (S)‐malate pentahydrate, C23H27N2O4+·C4H5O5−·5H2O, (I), and anhydrous brucinium hydrogen (2R,3R)‐tartrate, C23H27N2O4+·C4H5O6−,(II), have been determined at 130 K. Compound (I) has two brucinium cations, two hydrogen malate anions and ten water molecules of solvation in the asymmetric unit, and forms an extensively hydrogen‐bonded three‐dimensional framework structure. In compound (II), the brucinium cations form the common undulating brucine sheet substructures, which accommodate parallel chains of head‐to‐tail hydrogen‐bonded tartrate anion species in the interstitial cavities. 相似文献
14.
Andrey I. Buvaylo Nikolay M. Dudarenko Igor O. Fritsky Jolanta
witek‐Kozowska 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m331-m333
The title compound, [Ni(C2H8N2)3][Ni(C3HN3O2)2]·H2O, appears to be a modular associate consisting of two complex counter‐ions, containing bivalent nickel as the central atom in both cases, and a solvent water molecule. The NiII ion in the complex cation lies on the C2 crystallographic axis. Its coordination environment is formed by six N atoms of three ethylenediamine (en) molecules, representing a distorted octahedral geometry. The NiII ion in the complex anion occupies a position at the center of inversion. It exhibits a distorted square‐planar coordination geometry formed by four N atoms belonging to the deprotonated oxidoimine and amide groups of the two doubly charged 2‐cyano‐2‐(oxidoimino)acetamidate anions, situated in trans positions with respect to each other. In the crystal packing, the complex anions are linked by water molecules via hydrogen bonds between the amide O atoms and water H atoms, forming chains translated along the a direction. The [Ni(en)3]2+ cations fill empty spaces between the translational chains, connecting them by hydrogen bonds between the oxime and amide O atoms of the anions and the amine H atoms of the cations, forming layers along the ac plane. The water molecules provide connection between layers through N atoms of the cations, thus forming a three‐dimensional modular structure. 相似文献
15.
Telisha Traut‐Johnstone Frederik H. Kriel Raymond Hewer D. Bradley G. Williams 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(12):1121-1124
The mixed organic–inorganic title salt, C7H18N2O2+·C2HO4−·Cl−, forms an assembly of ionic components which are stabilized through a series of hydrogen bonds and charge‐assisted intermolecular interactions. The title assembly crystallizes in the monoclinic C2/c space group with Z = 8. The asymmetric unit consists of a 4‐(3‐azaniumylpropyl)morpholin‐4‐ium dication, a hydrogen oxalate counter‐anion and an inorganic chloride counter‐anion. The organic cations and anions are connected through a network of N—H...O, O—H...O and C—H...O hydrogen bonds, forming several intermolecular rings that can be described by the graph‐set notations R33(13), R21(5), R12(5), R21(6), R23(6), R22(8) and R33(9). The 4‐(3‐azaniumylpropyl)morpholin‐4‐ium dications are interconnected through N—H...O hydrogen bonds, forming C(9) chains that run diagonally along the ab face. Furthermore, the hydrogen oxalate anions are interconnected via O—H...O hydrogen bonds, forming head‐to‐tail C(5) chains along the crystallographic b axis. The two types of chains are linked through additional N—H...O and O—H...O hydrogen bonds, and the hydrogen oxalate chains are sandwiched by the 4‐(3‐azaniumylpropyl)morpholin‐4‐ium chains, forming organic layers that are separated by the chloride anions. Finally, the layered three‐dimensional structure is stabilized via intermolecular N—H...Cl and C—H...Cl interactions. 相似文献
16.
Nada Kouti‐Hulita Miroslav
egarac 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o171-o173
In the crystal structure of (R)‐N,N‐diisopropyl‐3‐(2‐hydroxy‐5‐methylphenyl)‐3‐phenylpropylaminium (2R,3R)‐hydrogen tartrate, C22H32NO+·C4H5O6−, the hydrogen tartrate anions are linked by O—H⋯O hydrogen bonds to form helical chains built from (9) rings. These chains are linked by the tolterodine molecules via N—H⋯O and O—H⋯O hydrogen bonds to form separate sheets parallel to the (101) plane. 相似文献
17.
Jin Yang Jian‐Fang Ma Ying‐Chun Liu Guo‐Li Zheng Li Li Jing‐Fu Liu Ning‐Hai Hu Heng‐Qing Jia 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m613-m614
In the crystal structure of the title compound, (NH4)[AsO2(OH)(C6H4NO2)], the 4‐nitrophenylarsonate anions and ammonium cations are linked through hydrogen bonds to form infinite chains along the b axis. The hydroxyl O atom of the 4‐nitrophenylarsonate anion acts as both an acceptor and a donor of hydrogen bonds. All atoms are located in general positions. 相似文献
18.
Elizabeth J. MacLean Simon J. Teat Dorcas M. M. Farrell George Ferguson Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o470-o473
The title compound, meso‐5,7,7,12,14,14‐hexamethyl‐4,11‐diaza‐1,8‐diazoniacyclotetradecane bis(3‐carboxy‐5‐nitrobenzoate), C16H38N42+·2C8H4NO6?, is a salt in which the cation is present as two configurational isomers, disordered across a common centre of inversion in P, with occupancies of 0.847 (3) and 0.153 (3). The anions are linked into chains by a single O—H?O hydrogen bond [H?O 1.71 Å, O?O 2.5063 (15) Å and O—H?O 156°] and the cations link these anion chains into sheets by means of a range of N—H?O hydrogen bonds [H?O 1.81–2.53 Å, N?O 2.718 (5)–3.3554 (19) Å and N—H?O 146–171°]. 相似文献
19.
Olexyj M. Huta Ihor O. Patsaj Antoni Konitz Joanna Meszko Jerzy Baejowski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):o295-o297
The title compound, C15H11N2+·HN2O6?, crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The planar 9‐cyano‐10‐methylacridinium cations lie on crystallographic twofold axes and are arranged in layers, almost perpendicular to the ac plane, in such a way that neighbouring molecules are positioned in a `head‐to‐tail' manner. These cations and the hydrogen dinitrate anions are linked through C—H?O interactions involving four of the six O atoms of the anion and the H atoms attached to the C atoms of the acridine moiety in ring positions 2 and 4. The H atom of the hydrogen dinitrate anion appears to be located on the centre of inversion relating two of the four O atoms engaged in the above‐mentioned C—H?O interactions. In this way, columns of either anions or cations running along the c axis are held in place by the network of C—H?O interactions, forming a relatively compact crystal lattice. 相似文献
20.
Christoph Wlper Naveed Anwar Naeem Gulzar Peter G. Jones Armand Blaschette 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(7):o249-o254
The title compound, C6H15N2+·C2H6NO4S2−, crystallizes as a 0.11‐hydrate, (I), in the space group C2; the asymmetric unit consists of two cations (one of each enantiomer), one anion on a general position, two half anions, each with the N atom on a twofold axis, and approximately one fifth of a water molecule. The general anion departs significantly from the usual conformation: it lacks one of the typical `W'‐shaped sequence of O—S—N—S—O atoms. The compound also crystallizes in the solvent‐free form, (II), in the space group P21/c, with one formula unit in the asymmetric unit. Both compounds form ribbons of hydrogen‐bonded cation dimers parallel to the b axis. In (I), there are two independent ribbons of opposite chirality, each involving one anion on a special position, and these ribbons are connected by hydrogen bonds to the anion on a general position, resulting in a layer structure parallel to (100). In (II), the chains are connected by hydrogen bonds, and again a layer structure parallel to (100) results. 相似文献