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1.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 相似文献
2.
Yao‐Cheng Shi Bei‐Bei Zhu Chun‐Xia Sui 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m577-m580
Molecules of 1‐acetyl‐3‐ferrocenyl‐5‐methyl‐1H‐pyrazole, [Fe(C5H5)(C11H11N2O)], form a centrosymmetric dimer generated by a combination of one C—H⋯π(pyrazole) and one C—H⋯π(cyclopentadienyl) interaction. The dimers are linked by C—H⋯π interactions, involving the pyrazole rings as acceptors, into layers parallel to (10). Molecules of 1‐acetyl‐5‐ferrocenyl‐3‐(2‐pyridyl)‐1H‐pyrazole, [Fe(C5H5)(C15H12N3O)], are linked by C—H⋯O interactions into a chain running in the [010] direction. Two chains of this type passing through each unit cell are connected by O⋯π(pyridyl) interactions into an [010] double chain. 相似文献
3.
Carlos E. M. Carvalho Solange M. S. V. Wardell James L. Wardell Janet M. S. Skakle John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o28-o32
Molecules of the title compounds N2‐(benzoyloxy)benzamidine, C14H12N2O2, (I), N2‐(2‐hydroxybenzoyloxy)benzamidine, C14H12N2O3, (II), and N2‐benzoyloxy‐2‐hydroxybenzamidine, C14H12N2O3, (III), all have extended chain conformations, with the aryl groups remote from one another. In (I), the molecules are linked into chains by a single N—H⋯N hydrogen bond [H⋯N = 2.15 Å, N⋯N = 3.029 (2) Å and N—H⋯N = 153°] and these chains are linked into sheets by means of aromatic π–π stacking interactions. There is one intramolecular O—H⋯O hydrogen bond in (II), and a combination of one three‐centre N—H⋯(N,O) hydrogen bond [H⋯N = 2.46 Å, H⋯O = 2.31 Å, N⋯N = 3.190 (2) Å, N⋯O = 3.146 (2) Å, N—H⋯N = 138° and N—H⋯O = 154°] and one two‐centre C—H⋯O hydrogen bond [H⋯O = 2.46 Å, C⋯O = 3.405 (2) Å and C—H⋯O = 173°] links the molecules into sheets. In (III), an intramolecular O—H⋯N hydrogen bond and two N—H⋯O hydrogen bonds [H⋯O = 2.26 and 2.10 Å, N⋯O = 2.975 (2) and 2.954 (2) Å, and N—H⋯O = 138 and 163°] link the molecules into sheets. 相似文献
4.
Na Liu Ai‐Ling Cheng En‐Qing Gao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o93-o95
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
5.
Fen Sun Yan‐Tuan Li Zhi‐Yong Wu Yu‐Lan Song Man Jiang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m584-m586
The structure of the title compound, [Cu2(C12H24N4O2)(C3H4N2)2(CH4O)2](ClO4)2 or [Cu2(dmoxpn)(HIm)2(CH3OH)2](ClO4)2, where dmoxpn is the dianion of N,N′‐bis[3‐(dimethylamino)propyl]oxamide and HIm is imidazole, consists of a centrosymmetric trans‐oxamidate‐bridged copper(II) binuclear cation, having an inversion centre at the mid‐point of the central C—C bond, and two perchlorate anions. The CuII atom has square‐pyramidal coordination geometry involving two N atoms and an O atom from the dmoxpn ligand, an N atom from an imidazole ring, and an O atom from a methanol molecule. The crystal structure is stabilized by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds and imidazole π–π stacking interactions to form a three‐dimensional supramolecular array. 相似文献
6.
Ahmet Bulut brahim Uar Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m266-m268
In the crystal structure of the synthetically prepared title compound, [Cu(C14H12N2)2](C4HO4)·0.5H2O or [Cu(dmphen)2](HSq)·0.5H2O (dmphen is 2,9‐dimethyl‐1,10‐phenanthroline or neocuproine and HSq is hydrogen squarate), the CuI centre has distorted tetrahedral coordination geometry comprised of four N atoms from two bidentate dmphen ligands. The squarate monoanions form a ten‐membered dimer, graph set R22(10), linked by two strong intermolecular O—H⋯O hydrogen bonds. These squarate dimers are linked into chains that propagate along the [100] direction. An extensive three‐dimensional network of C—H⋯O hydrogen bonds and π–π interactions is responsible for stabilization of the crystal structure. 相似文献
7.
Nada Kouti Hulita Aleksandar Danilovski Darko Fili Marina Marinkovi Ernest Metrovi Miljenko Dumi 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o648-o651
The structures of the three title isomers, namely 4‐(2‐methylanilino)pyridine‐3‐sulfonamide, (I), 4‐(3‐methylanilino)pyridine‐3‐sulfonamide, (II), and 4‐(4‐methylanilino)pyridine‐3‐sulfonamide, (III), all C12H13N3O2S, differ in their hydrogen‐bonding arrangements. In all three molecules, the conformation of the 4‐aminopyridine‐3‐sulfonamide moiety is conserved by an intramolecular N—H⋯O hydrogen bond and a C—H⋯O interaction. In the supramolecular structures of all three isomers, similar C(6) chains are formed via intermolecular N—H⋯N hydrogen bonds. N—H⋯O hydrogen bonds lead to C(4) chains in (I), and to R22(8) centrosymmetric dimers in (II) and (III). In each isomer, the overall effect of all hydrogen bonds is to form layer structures. 相似文献
8.
Wei Sun Yan‐Tuan Li Zhi‐Yong Wu Ning‐Yu Xiao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m111-m113
In the crystal structure of the title complex, [Ni2(C10H20N4O2)(C12H12N2)2](ClO4)2 or [Ni(dmaeoxd)Ni(dmbp)2](ClO4)2 {H2dmaeoxd is N,N′‐bis[2‐(dimethylamino)ethyl]oxamide and dmbp is 4,4′‐dimethyl‐2,2′‐bipyridine}, the deprotonated dmaeoxd2− ligand is in a cis conformation and bridges two NiII atoms, one of which is located in a slightly distorted square‐planar environment, while the other is in an irregular octahedral environment. The cation is located on a twofold symmetry axis running through both Ni atoms. The dmaeoxd2− ligands interact with each other via C—H⋯O hydrogen bonds and π–π interactions, which results in an extended chain along the c axis. 相似文献
9.
Zhong‐Lu You Li Yang Ying Zou Wei‐Jie Zeng Wei‐Sheng Liu Hai‐Liang Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m117-m118
The title compound, {[Ag(C2H8N2)](C7H4FO2)·H2O}n, has been synthesized and characterized by elemental analysis and single‐crystal X‐ray diffraction. The Ag atom is bicoordinated in a linear configuration by two N atoms from two symmetry‐related ethylenediamine ligands, giving linear polymeric chains with [–Ag—N—C—C—N–]n backbones running parallel to the b axis. In the crystal packing, these linear chains are interconnected by N—H⋯O and O—H⋯O hydrogen bonds, and by weak Ag⋯OW interactions, forming layers parallel to the ab plane. 相似文献
10.
Peter G. Jones Steffi Friedrichs 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m623-m627
Bis(1,3‐thiazolidine‐2‐thione‐κS2)gold(I) bis(4‐chlorobenzenesulfonyl)amide, [Au(C3H5NS2)2](C12H8Cl2NS2O4), has no imposed symmetry. Classical N—H⋯N and N—H⋯O hydrogen bonds link the residues to form chains parallel to the b axis. Weaker interactions involve C—H⋯O, C—H⋯Au and a number of X⋯Cl contacts (X = Cl, S or Au) clustered in the region y ≃ . In bis(1‐methylimidazolidine‐2‐thione‐κS2)gold(I) bis(4‐iodobenzenesulfonyl)amide, [Au(C4H8N2S)2](C12H8I2NS2O4), the Au atom of the cation and the N atom of the anion lie on the twofold axis (0, y, ) in the space group C2/c. The formula unit forms a self‐contained ring with two symmetry‐equivalent N—H⋯O hydrogen bonds, and weak C—H⋯X (X = O, I or S), Au⋯I and I⋯I contacts are observed. In both compounds, the anions display extended conformations. 相似文献
11.
Rafal Kruszynski Tadeusz J. Bartczak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m439-m441
The title compound, [Sn4(CH3)8(C13H8Cl2NO2)2(C2H5O)2O2], is a centrosymmetric dimer, with three linearly fused four‐membered Sn—O—Sn—O rings. The coordination polyhedron of the Sn atom bonded to the carboxylate can be described as trigonal–bipyramidal distorted toward square‐pyramidal. That of the second Sn atom is similar, but the distortion towards square‐pyramidal geometry is greater. The Sn—O and Sn—C distances are 2.020 (2)–2.226 (2) and 2.096 (4)–2.114 (4) Å, respectively. The benzene rings of the 2‐[(2,3‐dichlorophenyl)amino]benzoate ligand subtend an angle of 50.49 (17)°; the conformation of the ligand is stabilized by intramolecular N—H⋯Cl and N—H⋯O hydrogen bonds. The structure is assembled viaπ–π stacking interactions to form chains parallel to [10]. 相似文献
12.
Madhukar Hemamalini Packianathan Thomas Muthiah Gabriele Bocelli Andrea Cantoni 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o284-o286
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
13.
Yao‐Cheng Shi Bei‐Bei Zhu Xiao‐Bi Jing 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m559-m562
The molecules of N,N′‐bis(2‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide, [Fe(C12H11N2O)2], contain intramolecular N—H⋯N hydrogen bonds and are linked into sheets by three independent C—H⋯O hydrogen bonds. The molecules of the isomeric compound N,N′‐bis(3‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide lie across inversion centres, and the molecules are linked into sheets by a combination of N—H⋯N hydrogen bonds and π–π stacking interactions between pyridyl groups. 相似文献
14.
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
15.
Bin Liu Jing‐Wen Chen Xiao‐Qing Chen Yi‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m42-m44
The asymmetric unit of the title compound, [Ni2(C25H31N4O3)(C2H3O2)2]PF6·0.5H2O, consists of two dinuclear nickel cations, two hexafluorophosphate anions and one water molecule of crystallization. Within each cation, the Ni atoms are bridged by two exogenous acetate groups and an endogenous cresol O atom of a phenolate‐based `end‐off' compartmental ligand that possesses two pendant chelating arms attached to the ortho positions of the phenol ring. Each Ni atom is six‐coordinate with a slightly distorted octahedral geometry. The two symmetry‐independent cations are linked into a dimeric unit through O—H⋯O hydrogen bonds. Additional O—H⋯O, C—H⋯F and C—H⋯O intermolecular interactions link all of the units in the structure into a three‐dimensional framework. 相似文献
16.
In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐nicotinato‐κ2N:O], [Ag(C6H4NO2)(C10H9N3)]n, the AgI atom is tetracoordinated by two N atoms from the di‐2‐pyridylamine (BPA) ligand [Ag—N = 2.3785 (18) and 2.3298 (18) Å] and by one N atom and one carboxylate O atom from nicotinate ligands [Ag—N = 2.2827 (15) Å and Ag—O = 2.3636 (14) Å]. Bridging by nicotinate N and O atoms generates a polymeric chain structure, which extends along [100]. The carboxyl O atom not bonded to the Ag atom takes part in an intrachain C—H⋯O hydrogen bond, further stabilizing the chain. Pairs of chains are linked by N—H⋯O hydrogen bonds to generate ribbons. There are no π–π interactions in this complex. In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐2,6‐dihydroxybenzoato‐κ2O1:O2], [Ag(C7H5O4)(C10H9N3)]n, the AgI atom has a distorted tetrahedral coordination, with three strong bonds to two pyridine N atoms from the BPA ligand [Ag—N = 2.286 (5) and 2.320 (5) Å] and to one carboxylate O atom from the 2,6‐dihydroxybenzoate ligand [Ag—O = 2.222 (4) Å]; the fourth, weaker, Ag‐atom coordination is to one of the phenol O atoms [Ag⋯O = 2.703 (4) Å] of an adjacent moiety, and this interaction generates a polymeric chain along [100]. Pairs of chains are linked about inversion centers by N—H⋯O hydrogen bonds to form ribbons, within which there are π–π interactions. The ribbons are linked about inversion centers by pairs of C—H⋯O hydrogen bonds and additional π–π interactions between inversion‐related pairs of 2,6‐dihydroxybenzoate ligands to generate a three‐dimensional network. 相似文献
17.
trans‐Diaquabis(5‐carboxy‐1H‐imidazole‐4‐carboxylato‐κ2N3,O4)cobalt(II) 4,4′‐bipyridine solvate
Rong Cao Yu‐Ling Wang Wen‐Hua Bi 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m609-m611
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
18.
Ahmet Karadag Hümeyra Paaoglu Gkhan Kata Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m581-m583
The title compound, catena‐poly[[μ‐cyano‐1:2κ2C:N‐dicyano‐1κ2C‐trans‐bis[N‐(2‐hydroxyethyl)ethane‐1,2‐diamine‐2κ2N,N′]cadmium(II)nickel(II)]‐μ‐cyano‐1:2′κ2C:N], [CdNi(CN)4(C4H12N2O)2], consists of alternating square‐planar Ni(CN)4 fragments, formally dianionic, and Cd(hydet‐en)2 moieties [hydet‐en is N‐(2‐hydroxyethyl)ethylenediamine], with the two bridging cyanide ligands in a mutually trans disposition at the Ni atom and cis at the Cd atom. The resulting one‐dimensional zigzag chain structure has the Ni atom on an inversion center, while the distorted octahedron centered on the Cd atom lies on a twofold axis. The polymer chains are connected into undulating sheets by weak interchain N—H⋯N, N—H⋯O and O—H⋯N hydrogen bonds, which are also present between successive sheets. 相似文献
19.
Hui‐Fen Qian Wei Huang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m349-m351
The title compound, [Cu(ClO4)(C5H6N2)2(C12H12N2)]ClO4, was prepared by in situ partial ligand substitution between 3‐aminopyridine and 4,4′‐dimethyl‐2,2′‐bipyridine at room temperature. The central copper(II) ion is five‐coordinated by one bidentate 4,4′‐dimethyl‐2,2′‐bipyridine molecule, two monodentate pyridine‐coordinated 3‐aminopyridine molecules and one apical O atom from the perchlorate counter‐ion. Intermolecular N—H⋯O and C—H⋯O hydrogen‐bonding interactions form a hydrogen‐bond‐sustained network. 相似文献
20.
Ivana Jarak Grace Karminski‐Zamola Gordana Pavlovi Zora Popovi 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o98-o100
The title compound, C10H16N·Cl−·C2H6O, is an important intermediate in the convergent synthesis of amidine‐substituted polycyclic heterocycles, a class of compounds that shows significant anticancer activity. The molecule of (I) is not planar, having a dihedral angle of 25.00 (7)° between the aniline and amidine (–C—NH=C=NH2) groups. The protonation of the amidine molecular fragment is accompanied by delocalized C—N bond distances of 1.320 (2) and 1.317 (2) Å. The cations and chloride anions are involved in a network of hydrogen bonds, resulting in the formation of infinite chains propagating along the b direction. The chains are further grouped within the ab plane, in such a way that the structure is segregated into layers dominated by hydrophobic interactions involving N‐isopropyl residues and layers dominated by N—H⋯Cl [N⋯Cl = 3.275 (2)–3.596 (2) Å], O—H⋯Cl [O⋯Cl = 3.229 (3) Å] and N—H⋯O [N⋯O = 2.965 (3) Å] hydrogen bonds. 相似文献