共查询到20条相似文献,搜索用时 15 毫秒
1.
Xiang‐Gao Meng Yi‐Long Xiao Hang Zhang Chun‐Shan Zhou 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(5):o261-o263
Cocrystallization of 2,2′‐dithiodibenzoic acid with isonicotinohydrazide from methanol solution yields the 1:2 cocrystal 2,2′‐dithiodibenzoic acid–isonicotinohydrazide (1/2), C14H10O4S2·2C6H7N3O. The component molecules are linked by intermolecular O—H...N, N—H...O, N—H...N and C—H...O hydrogen bonds into layers running parallel to the (010) plane, and these layers are further linked into a three‐dimensional framework structure by means of weak aromatic π–π stacking interactions. As a potential cocrystallization agent, isonicotinohydrazide may be used for effective and versatile synthetic supramolecular strategies utilizing hydrogen bonding of specific molecular building blocks. 相似文献
2.
M. J. Gonzlez Garmendia V. San Nacianceno J. M. Seco F. J. Zúiga 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(11):m436-m439
The compounds poly[di‐μ4‐succinato‐μ2‐1,2‐di‐4‐pyridylethane‐dicopper(II)], [Cu2(C4H4O4)2(C12H12N2)]n, (I), and poly[di‐μ4‐succinato‐μ2‐1,3‐di‐4‐pyridylpropane‐dicopper(II)], [Cu2(C4H4O4)2(C13H14N2)]n, (II), exhibit polymeric structures with the dicopper units doubly bridged by bis‐bidentate succinate groups and crosslinked by the separator bis(pyridyl) molecules. In (I), the molecule exhibits a centre of inversion located midway between the core Cu‐dimer atoms and another that relates half of the bis(pyridyl)ethane ligand to the other half. Compound (II) has a similar molecular packing but with a doubled lattice constant and noncentrosymmetric core units. An antiferromagnetic interaction due to the dinuclear copper units was deduced from magnetic subsceptibility measurements, and spin triplet signals were detected in the electron paramagnetic resonance spectra for both compounds. 相似文献
3.
Marek Gliski Ewa Wilczkowska Izabela D. Madura Janusz Zachara 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(12):o720-o722
The asymmetric unit of the title compound, C12H18O2, contains two independent molecules. They differ only slightly in conformation but form completely different intermolecular hydrogen‐bonded arrays. One molecule exhibits disorder in the hydroxy group region, but this does not influence the formation of hydrogen bonds. The bulky tert‐butyl group on one side of the carbinol C atom and the benzene ring on the other side promote the formation of discrete dimeric motifs via hydrogen‐bridged hydroxy groups. Dimers are further joined by strong hydroxy–methoxy O—H...O bonds to form chains with dangling alcohol groups. Weaker intermolecular C—H...O interactions mediate the formation of a two‐dimensional network. 相似文献
4.
5.
Araceli Vega Maria Zarate Hugo Tlahuext Herbert Hpfl 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(4):o219-o221
In the presence of water, benzene‐1,4‐diboronic acid (1,4‐bdba) and 4,4′‐bipyridine (4,4′‐bpy) form a cocrystal of composition (1,4‐bdba)(4,4′‐bpy)2(H2O)2, in which the molecular components are organized in two, so far unknown, cyclophane‐type hydrogen‐bonding patterns. The asymmetric unit of the title compound, C6H8B2O4·2C10H8N2·2H2O, contains two 4,4′‐bpy, two water molecules and two halves of 1,4‐bdba molecules arranged around crystallographic inversion centers. The occurrence of O—H...O and O—H...N hydrogen bonds involving the water molecules and all O atoms of boronic acid gives rise to a two‐dimensional hydrogen‐bonded layer structure that develops parallel to the (01) plane. This supramolecular organization is reinforced by π–π interactions between symmetry‐related 4,4′‐bpy molecules. 相似文献
6.
Bernadette Suchod Olivier Stphan Yann Kervella 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e297-e297
The central part of the title molecule, C38H42, is planar, all the rings being in the same plane; the lateral chains (excluding H atoms) are also planar, with each pair almost perpendicular to the ring plane. In the dimer, the two alkyl‐substituted fluorene moieties are head‐to‐foot. The molecule is on a special position of the space group, a centre of symmetry. 相似文献
7.
Eric P. Kelson Norman S. Dean Edgar Algarín 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m108-m110
The title compound, [Ru(C6H6NO2)2(C15H11N3)(H2O)]·CH3CN·H2O, is a transfer hydrogenation catalyst supported by nitrogen‐donor ligands. This octahedral RuII complex features rare monodentate coordination of 3‐methoxy‐2‐pyridonate ligands and interligand S(6)S(6) hydrogen bonding. Comparison of the title complex with a structural analog with unsubstituted 2‐pyridonate ligands reveals subtle differences in the orientation of the ligand planes. 相似文献
8.
Chenguang Li Paul D. Robinson Daniel J. Dyer 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):o336-o338
Cocrystallization of 1,1′‐(p‐phenylene)dipyridin‐4(1H)‐one (4,4′‐dpy) and terephthalic acid (tpa) affords the hydrogen‐bonded 1:1 title complex, C16H12N2O2·C8H6O4. Both molecules are symmetrically disposed about independent symmetry centers. Strong O—H⋯O hydrogen bonds between tpa carboxyl groups and 4,4′‐dpy carbonyl groups produce one‐dimensional zigzag infinite chains. Each chain is linked to four surrounding chains via weak C—H⋯O interactions, resulting in a three‐dimensional molecular framework. 相似文献
9.
Kazumasa Ueda Masaki Iwamatsu Toyonari Sugimoto Toshiji Tada Kei‐ichiro Nishimura 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e160-e161
The X‐ray structure analysis of 2,2′‐spirobi(1,3‐benzodithiole), C13H8S4, has been performed. The molecule has crystallographic twofold rotation symmetry, the axis passing through the spiro‐C atom. The four S atoms are arranged around the spiro‐C atom in two almost orthogonal CS2 planes. However, because of large bending of the two five‐membered rings, close contact is present between two connected C atoms on the benzo group of each 1,3‐benzodithiole ring and one S atom on the other 1,3‐benzodithiole ring. 相似文献
10.
Qingjian Liu Daqing Shi Chuanli Ma Fengmei Pan Rongjun Qu Kaibei Yu Jianhua Xu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o219-o220
In the title compound, C16H12N2S4, which is the result of the S‐alkylation reaction of 2‐mercaptobenzothiazole with ethylene dibromide, the planes of the two benzothiazole moieties form a dihedral angle of 3.84 (14)°. The bridging chain moiety, –SCH2CH2S–, adopts an antiperiplanar conformation. There are intermolecular S⃛S non‐bonded contacts of 3.6471 (9) Å, which stabilize the crystal packing. 相似文献
11.
Yan‐Ping You Zhi‐Hui Zhang Miao Du 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o33-o35
The combination of biphenyl‐4,4′‐dicarboxylic acid (H2bpa) and the bent dipyridyl base 2,5‐di‐4‐pyridyl‐1,3,4‐oxadiazole (4‐bpo) in a 1:1 molar ratio leads to the formation of the molecular cocrystal (H2bpa)·(4‐bpo) or C14H10O4·C12H8N4O. The asymmetric unit contains one‐half of an H2bpa unit lying across a centre of inversion and one‐half of a 4‐bpo molecule lying across a twofold rotation axis. Intermolecular O—H⋯N interactions connect the acid and base molecules to form a one‐dimensional zigzag chain. Through further weak C—H⋯O hydrogen bonds between adjacent chains, a two‐dimensional sheet‐like supramolecular network is afforded. As an extended analogue of terephthalic acid (H2tp), the backbone geometry of H2bpa has an evident influence on the hydrogen‐bonding pattern of the title cocrystal compared with that of (H2tp)·(4‐bpo). 相似文献
12.
M. Barboiu A. van der Lee 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):m366-m368
The structure of the supramolecular complex calcium–trifluoromethanesulfonate–1,3‐di‐4‐pyridylurea–methanol (1/2/2/4), Ca2+·2CF3SO3−·2C11H10N4O·4CH4O, is presented. The Ca2+ ion lies on an inversion centre and is octahedrally coordinated by four methanol molecules and two trifluoromethanesulfonate counter‐ions. The molecular packing is dominated by hydrogen‐bonded sheets in the (110) plane which contain R(32) rings; in these rings, significant π–π interactions are observed between inversion‐related 1,3‐di‐4‐pyridylurea molecules. 相似文献
13.
G. Prchniak J. Zo M. Daszkiewicz A. Pietraszko V. Videnova‐Adrabiska 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):o434-o436
The crystal structure of the title compound, C12H12O6P2, displays two different regions alternating along the a axis: a hydrogen‐bonded region encompassing the end‐positioned phosphonic acid groups and a hydrophobic region formed by the aromatic spacers. The asymmetric unit contains only half of the biphenyl‐4,4′‐diphosphonic acid (4,4′‐bpdp) molecule, which is symmetric with an inversion centre imposed at the mid‐point between the two aromatic rings. The periodic organization of the molecules is controlled by two strong O—H...O interactions between the phosphonic acid sites. Weak C—H...π interactions are established in the aromatic regions. 相似文献
14.
Brian W. Skelton A. Fiona Waters Claire R. Whitaker Allan H. White 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m435-m438
Both of the title compounds, catena‐poly[[[tetraaquamagnesium(I)]‐μ‐4,4′‐bipyridine‐κ2N:N′] diiodide bis(4,4′‐bipyridine) solvate], {[Mg(C10H8N2)(H2O)4]I2·2C10H8N2}n, (I), and catena‐poly[[[μ‐4,4′‐bipyridine‐bis[diiodobis(propan‐1‐ol)strontium(I)]]‐di‐μ‐4,4′‐bipyridine‐κ4N:N′] bis(4,4′‐bipyridine) solvate], {[Sr2I4(C10H8N2)3(C3H8O)4]·2C10H8N2}n, (II), are one‐dimensional polymers which are single‐ and double‐stranded, respectively, the metal atoms being linked by the 4,4′‐bipyridine moieties. The Mg complex, (I), is [cis‐{(H2O)4Mg(N‐4,4′‐bipyridine‐N′)(2/2)}](∞|∞)I2·4,4′‐bipyridine and Mg has a six‐coordinate quasi‐octahedral coordination environment. The Sr complex, (II), is isomorphous with its previously defined Ba counterpart [Kepert, Waters & White (1996). Aust. J. Chem. 49 , 117–135], being [(propan‐1‐ol)2I2Sr(N‐4,4′‐bipyridine‐N′)(3/2)](∞|∞)·4,4′‐bipyridine, with the I atoms trans‐axial in a seven‐coordinate pentagonal–bipyramidal Sr environment. 相似文献
15.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(2):97-103
Carboxylate molecular crystals have been of interest due to the presence of hydrogen bonding, which plays a significant role in chemical and crystal engineering, as well as in supramolecular chemistry. Acid–base adducts possess hydrogen bonds which increase the thermal and mechanical stability of the crystal. 2,2′‐Thiodiacetic acid (Tda) is a versatile ligand that has been widely explored, employing its multidendate and chelating coordination abilities with many metals; however, charge‐transfer complexes of thiodiacetic acid have not been reported. Two salts, namely ethylenediaminium 2,2′‐thiodiacetate, C2H10N22+·C4H4O4S22−, denoted Tdaen, and 2‐aminoanilinium 2‐(carboxymethylsulfanyl)acetate, C6H9N2+·C4H5O4S−, denoted Tdaophen, were synthesized and characterized by IR, 1H and 13C NMR spectroscopies, and single‐crystal X‐ray diffraction. In these salts, Tda reacts with the aliphatic (ethylenediamine) and aromatic (o‐phenylenediamine) diamines, and deprotonates them to form anions with different valencies and different supramolecular networks. In Tdaen, the divalent Tda2− anions form one‐dimensional linear supramolecular chains and these are extended into a three‐dimensional sandwich‐type supramolecular network by interaction with the ethylenediaminium cations. However, in Tdaophen, the monovalent Tda− anions form one‐dimensional zigzag supramolecular chains, which are extended into a three‐dimensional supramolecular network by interaction with the 2‐aminoanilinium cations. Thus, both three‐dimensional structures display different ring motifs. The structures of these diamines, which are influenced by hydrogen‐bonded assemblies in the molecular crystals, are discussed in detail. 相似文献
16.
Diana Schindler Marika Felsmann Edwin Weber 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(7):o361-o363
Crystallization of 5,5′‐diphenyl‐2,2′‐(p‐phenylene)di‐1,3‐oxazole (POPOP), C24H16N2O2, from chloroform or 1,4‐dioxane yielded crystals in pure and solvated forms, respectively. The solvated crystals of POPOP were found to contain 1,4‐dioxane in a strict 1:2 compound–solvent stoichiometry, C24H16N2O2·C4H8O2, thus being a defined solvent‐inclusion compound. The crystal system is monoclinic in both cases and the asymmetric unit of the cell contains only half of the molecule (plus one dioxane molecule in the case of the solvated structure), owing to the centrosymmetry of the di‐1,3‐oxazole molecule. 相似文献
17.
Rui M. S. Loureiro Robert A. W. Johnstone Gaël Labat 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(6):o306-o308
Fusion of 4‐nitrophenol and acetamide in a 1:1 molar ratio gives the title product, C6H5NO3·C2H5NO, (III), which has the character of a pure covalently bonded compound, having a high sharp melting point. Complex (III) (m.p. 371.9–372.9 K) can be recrystallized from various solvents and forms eutectics with either acetamide or 4‐nitrophenol. Similar fusion of mixtures of acetamide and 2‐nitrophenol yields no complex similar to (III) and mixtures of acetamide and 3‐nitrophenol produce only a weak low‐melting complex. The significance of this study lies in its demonstration, via graph set analysis, that some of the patterns found individually in crystalline acetamide or 4‐nitrophenol have been preserved in crystals of complex (III), while several higher order graph sets are produced in (III) due to new hydrogen bonds involving the nitro group. In particular, large hydrogen‐bonded rings are formed together with helical chains. 相似文献
18.
Ludwig Chenneberg Janaina G. Ferreira Garry S. Hanan 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(4):m81-m84
The title compound, [4′‐(4‐bromophenyl)‐2,2′:6′,2′′‐terpyridine]chlorido(trifluoromethanesulfonato)copper(II), [Cu(CF3O3S)Cl(C21H14BrN3)], is a new copper complex containing a polypyridyl‐based ligand. The CuII centre is five‐coordinated in a square‐pyramidal manner by one substituted 2,2′:6′,2′′‐terpyridine ligand, one chloride ligand and a coordinated trifluoromethanesulfonate anion. The Cu—N bond lengths differ by 0.1 Å for the peripheral and central pyridine rings [2.032 (2) (mean) and 1.9345 (15) Å, respectively]. The presence of the trifluoromethanesulfonate anion coordinated to the metal centre allows Br...F halogen–halogen interactions, giving rise to the formation of a dimer about an inversion centre. This work also demonstrates that the rigidity of the ligand allows the formation of other types of nonclassical interactions (C—H...Cl and C—H...O), yielding a three‐dimensional network. 相似文献
19.
Zhong Yu Atsuhiro Nabei Takafumi Izumi Takashi Okubo Takayoshi Kuroda‐Sowa 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(5):m209-m212
4′‐Cyanophenyl‐2,2′:6′,2′′‐terpyridine (cptpy) was employed as an N,N′,N′′‐tridentate ligand to synthesize the compounds bis[4′‐(4‐cyanophenyl)‐2,2′:6′,2′′‐terpyridine]cobalt(II) bis(tetrafluoridoborate) nitromethane solvate, [CoII(C22H14N4)2](BF4)2·CH3NO2, (I), and bis[4′‐(4‐cyanophenyl)‐2,2′:6′,2′′‐terpyridine]cobalt(III) tris(tetrafluoridoborate) nitromethane sesquisolvate, [CoIII(C22H14N4)2](BF4)3·1.5CH3NO2, (II). In both complexes, the cobalt ions occupy a distorted octahedral geometry with two cptpy ligands in a meridional configuration. A greater distortion from octahedral geometry is observed in (I), which indicates a different steric consequence of the constrained ligand bite on the CoII and CoIII ions. The crystal structure of (I) features an interlocked sheet motif, which differs from the one‐dimensional chain packing style present in (II). The lower dimensionality in (II) can be explained by the disturbance caused by the larger number of anions and solvent molecules involved in the crystal structure of (II). All atoms in (I) are on general positions, and the F atoms of one BF4− anion are disordered. In (II), one B atom is on an inversion center, necessitating disorder of the four attached F atoms, another B atom is on a twofold axis with ordered F atoms, and the C and N atoms of one nitromethane solvent molecule are on a twofold axis, causing disorder of the methyl H atoms. This relatively uncommon study of analogous CoII and CoIII complexes provides a better understanding of the effects of different oxidation states on coordination geometry and crystal packing. 相似文献
20.
Selena L. Staun Allen G. Oliver 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(2):o84-o87
4‐Hydroxypyridine and terephthalic acid cocrystallize as a hydrate, 4‐pyridone–terephthalic acid–water (2/1/2), 2C5H5NO·C8H6O4·2H2O, from a methanol–water solution. The molecules form a two‐dimensional hydrogen‐bonded network resulting in sheets of hydrogen‐bonded molecules that lie parallel to the (10) plane. In contrast, 3‐hydroxypyridine and terephthalic acid form the salt bis(3‐hydroxypyridinium) terephthalate, 2C5H6NO+·C8H4O42−, giving rise to two‐dimensional hydrogen‐bonded sheets extending through the lattice parallel to the (10) plane. 相似文献