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1.
Bernardo Masci Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o575-o579
Four derivatives of 2,6‐bis(hydroxymethyl)phenol, with various para substituents, have been investigated; these are 2,6‐bis(hydroxymethyl)‐4‐methylphenol, C9H12O3, (I), 2,6‐bis(hydroxymethyl)‐4‐methoxyphenol, C9H12O4, (II), 2,6‐bis(hydroxymethyl)‐4‐phenoxyphenol, C14H14O4, (III), and 2,6‐bis(hydroxymethyl)‐4‐[1‐(4‐methoxyphenyl)‐1‐methylethyl]phenol, C18H22O4, (IV). All four structures display hydrogen‐bonding networks resulting in sheets, with possible weak inter‐sheet π–π interactions in one case. In all the structures but one, the molecules form centrosymmetric dimeric subunits held together by two hydrogen bonds between the hydroxymethyl groups and, in two cases, by probable π–π interactions. 相似文献
2.
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
3.
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
4.
Young Ho Jhon Jaheon Kim 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m334-m336
The title compound, {[Zn(C8H4O5)(C3H7NO)2]·0.5C7H8}n, is a one‐dimensional coordination polymer in which the Zn atoms are linked by bridging 5‐hydroxybenzene‐1,3‐dicarboxylate ligands. These polymeric chains form two‐dimensional sheets via interchain hydrogen bonds, and these sheets, in turn, are stacked tightly with solvent toluene molecules in the interlayer space. The N,N′‐dimethylformamide ligands, coordinated axially to the Zn atoms, form van der Waals contacts with ligands in neighboring sheets, and enclose the guest molecules. 相似文献
5.
Andrew Bond William Jones 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):436-437
The title compound, [Mg(C5H4NOS)2(H2O)2]·C10H8N2O2S2, is a two‐component host–guest material. The 2,2′‐dithiobis(pyridine N‐oxide) molecule has crystallographic twofold symmetry. The metal complex lies on an inversion centre and associates via C—H?S interactions into chains which thread the 2,2′‐dithiobis(pyridine N‐oxide) lattice in perpendicular directions. Hydrogen bonds exist between the water molecules of the diaquamagnesium units and the N—O groups of the host lattice. 相似文献
6.
Yu‐Ling Wang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m522-m524
In the title compound, {[Zn(C10H8N2)(H2O)4](C6H5O4S)2·3H2O}n, the Zn atom, the bipyridine ligand and one of water molecules are located on twofold rotation axes. The Zn atom is coordinated by four O atoms from four water molecules and two N atoms from two 4,4′‐bipyridine molecules in a distorted octahedral geometry. The Zn2+ ions are linked by the 4,4′‐bipyridine molecules to form a one‐dimensional straight chain propagating along the c axis. The 4‐hydroxybenzenesulfonate counter‐ions are bridged by the solvent water molecules through hydrogen bonds to generate a two‐dimensional layer featuring large pores. In the crystal packing, the intralayer pores form one‐dimensional channels along the c axis, in which the one‐dimensional [Zn(C10H8N2)(H2O)4]2+ chains are encapsulated. Electrostatic interactions between cations and anions and extensive hydrogen bonds result in a three‐dimensional supramolecular structure. 相似文献
7.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o1-o5
In the adduct 1,2‐bis(4‐pyridyl)ethane–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2), C12H12N2·2C20H18O3, the bipyridyl component lies across an inversion centre in P. The tris‐phenol molecules [systematic name: 4,4′,4′′‐(ethane‐1,1,1‐triyl)triphenol] are linked by O—H?O hydrogen bonds to form sheets built from R(38) rings, and symmetry‐related pairs of sheets are linked by the bipyridyl molecules via O—H?N hydrogen bonds to form open bilayers. Each bilayer is interwoven with two adjacent bilayers, forming a continuous three‐dimensional structure. In the adduct 1,2‐bis(4‐pyridyl)ethene–1,1,1‐tris(4‐hydroxyphenyl)ethane–methanol (1/1/1), C12H10N2·C20H18O3·CH4O, the molecules are linked by O—H?O and O—H?N hydrogen bonds into three interwoven three‐dimensional frameworks, generated by single spiral chains along [010] and [001] and a triple‐helical spiral along [100]. 相似文献
8.
Srinivasulu Aitipamula Ashwini Nangia Ram Thaimattam Mariusz Jasklski 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o481-o484
In tris(4‐hydroxyphenyl)methane (or 4,4′,4′′‐methanetriyltriphenol), C19H16O3, molecules are connected by O—H⃛O hydrogen bonds [O⃛O = 2.662 (2) and 2.648 (2) Å] into two‐dimensional square networks that are twofold interpenetrated. In tris(4‐hydroxyphenyl)methane–4,4′‐bipyridine (1/1), C19H16O3·C10H8N2, trisphenol molecules form rectangular networks via O—H⃛O [O⃛O = 2.694 (3) Å] and C—H⃛O [C⃛O = 3.384 (3) Å] hydrogen bonds. Bipyridine molecules hydrogen bonded to phenol moieties [O⃛N = 2.622 (3) and 2.764 (3) Å] fill the voids to complete the structure. 相似文献
9.
Robert T. Stibrany Harvey J. Schugar Joseph A. Potenza 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o354-o357
Two of the title compounds, namely (E)‐1,2‐bis(1‐methylbenzimidazol‐2‐yl)ethene, C18H16N4, (Ib), and (E)‐1,2‐bis(1‐ethylbenzimidazol‐2‐yl)ethene, C20H20N4, (Ic), consist of centrosymmetric trans‐bis(1‐alkylbenzimidazol‐2‐yl)ethene molecules, while 3‐ethyl‐2‐[(E)‐2‐(1‐ethylbenzimidazol‐2‐yl)ethenyl]benzimidazol‐1‐ium perchlorate, C20H21N4+·ClO4−, (II), contains the monoprotonated analogue of compound (Ic). In the three structures, the benzimidazole and benzimidazolium moieties are essentially planar; the geometric parameters for the ethene linkages and their bonds to the aromatic groups are consistent with double and single bonds, respectively, implying little, if any, conjugation of the central C=C bonds with the nitrogen‐containing rings. The C—N bond lengths in the N=C—N part of the benzimidazole groups differ and are consistent with localized imine C=N and amine C—N linkages in (Ib) and (Ic); in contrast, the corresponding distances in the benzimidazolium cation are equal in (II), consistent with electron delocalization resulting from protonation of the amine N atom. Crystals of (Ib) and (Ic) contain columns of parallel molecules, which are linked by edge‐over‐edge C—H⋯π overlap. The columns are linked to one another by C—H⋯π interactions and, in the case of (Ib), C—H⋯N hydrogen bonds. Crystals of (II) contain layers of monocations linked by π–π interactions and separated by both perchlorate anions and the protruding ethyl groups; the cations and anions are linked by N—H⋯O hydrogen bonds. 相似文献
10.
I. I. Ponomarev A. Yu. Kovalevsky 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):260-262
Each of the three title compounds, namely 6,6′‐methylenebis(2‐methyl‐4H‐3,1‐benzoxazin‐4‐one), C19H14N2O4, 6,6′‐methylenebis(2‐trifluoromethyl‐4H‐3,1‐benzoxazin‐4‐one), C19H8F3N2O4, and 6,6′‐bi(2‐trifluoromethyl‐4H‐3,1‐benzoxazin‐4‐one), C18H6F6N2O4, contains two planar benzoxazinone fragments. In the first two compounds, these planes are virtually perpendicular to each other, while the third compound is planar overall. The electronic effects of the substituent groups on the oxazine moiety result in distortion of the bond angles at the C atoms of the C=O and C=N bonds, and in redistribution of electronic density in the oxazine rings. The latter leads to different bond lengths within this ring in the three molecules. All the molecules form stacks in their crystals with distances of 3.2–3.6 Å between adjacent molecules in a stack. 相似文献
11.
Takeo Fukunaga Setsuo Kashino Hiroyuki Ishida 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o718-o722
Tartronic acid forms a hydrogen‐bonded complex, C5H5NO·C3H4O5, (I), with 2‐pyridone, while it forms acid salts, namely 3‐hydroxypyridinium hydrogen tartronate, (II), and 4‐hydroxypyridinium hydrogen tartronate, (III), both C5H6NO+·C3H3O5−, with 3‐hydroxypyridine and 4‐hydroxypyridine, respectively. In (I), the pyridone molecules and the acid molecules form R(8) and R(10) hydrogen‐bonded rings, respectively, around the inversion centres. In (II) and (III), the cations and anions are linked by N—H⋯O and O—H⋯O hydrogen bonds to form a hydrogen‐bonded chain. In each of (I), (II) and (III), an intermolecular hydrogen bond is formed between a carboxyl group and the hydroxyl group attached to the central C atom, and in (I), the hydroxyl group participates in an intramolecular hydrogen bond with a carbonyl group. No intermolecular hydrogen bond is formed between the carboxyl groups in (I), or between the carboxyl and carboxylate groups in (II) and (III). 相似文献
12.
Veysel T. Yilmaz Ahmet Karadag Carsten Thne Regine Herbst‐Irmer 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):948-949
In the neutral title complex, trans‐bis(2,2′‐iminodiethanol‐N,O)bis(isothiocyanato)nickel(II), [Ni(NCS)2(C4H11NO2)2], the isothiocyanate ions and the diethanolamine molecules act as monodentate and bidentate ligands, respectively. The NiII ion exhibits a distorted octahedral configuration with crystallographically imposed inversion symmetry and NNCS—Ni—Namine and NNCS—Ni—Oamine bond angles of 88.78 (10) and 89.44 (10)°, respectively. The Ni—N bond distances are in the range 2.069 (3)–2.096 (2) Å. The molecules are linked by hydrogen bonds to form a three‐dimensional infinite lattice. 相似文献
13.
Xinjiang Huang Genevieve H. Kuhn Vladimir N. Nesterov Boris B. Averkiev Benjamin Penn Mikhail Yu. Antipin Tatiana V. Timofeeva 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):o624-o628
Syntheses and X‐ray structural investigations have been carried out for (E)‐(4‐hydroxyphenyl)(4‐nitrophenyl)diazene, C12H9N3O3, (Ia), (E)‐(4‐methoxyphenyl)(4‐nitrophenyl)diazene, C13H11N3O3, (IIIa), and (E)‐[4‐(6‐bromohexyloxy)phenyl](4‐cyanophenyl)diazene, C19H20BrN3O, (IIIc). In all of these compounds, the molecules are almost planar and the azobenzene core has a trans geometry. Compound (Ia) contains four and compound (IIIc) contains two independent molecules in the asymmetric unit, both in space group P (No. 2). In compound (Ia), the independent molecules are almost identical, whereas in crystal (IIIc), the two independent molecules differ significantly due to different conformations of the alkyl tails. In the crystals of (Ia) and (IIIa), the molecules are arranged in almost planar sheets. In the crystal of (IIIc), the molecules are packed with a marked separation of the azobenzene cores and alkyl tails, which is common for the solid crystalline precursors of mesogens. 相似文献
14.
Ahmet Karadag Ahmet Bulut Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m402-m404
The crystal structure of the title compound, [Ni(NCS)2(C4H12N2O)2], has two crystallographically independent half‐molecules in the asymmetric unit, with each Ni atom residing on a centre of symmetry. The two molecules exhibit similar coordination geometry but display differences with regard to other structural features. Each NiII centre is octahedrally coordinated by two mutually trans chelating hydroxyethylethylenediamine ligands and two mutually trans isothiocyanate ions. The two independent molecules form chains through different types of non‐covalent interactions. In the case of one of the molecules, only NCS and free OH groups participate in hydrogen bonding, while in the chain based on the second molecule, the NCS, NH, NH2 and free OH groups are involved in intermolecular hydrogen bonding. The two chains interact with one another through hydrogen bonding, forming planar sheets. The third packing direction is mediated only by van der Waals interactions. 相似文献
15.
The title compounds, bis(pyridine‐2,6‐dicarboxylato‐N,O,O′)copper(II) monohydrate, [Cu(C7H4NO4)2]·H2O, andbis(pyridine‐2,6‐dicarboxylato‐N,O,O′)zinc(II) trihydrate, [Zn(C7H4NO4)2]·3H2O, have distorted octahedral geometries about the metal centres. Both metal ions are bonded to four O atoms and two pyridyl‐N atoms from the two terdentate ligand molecules, which are nearly perpendicular to each other. The copper(II) complex has twofold crystallographic symmetry and contains two different ligand molecules, one of which is neutral and another doubly ionized. In contrast, the zinc(II) complex contains two identical singly ionized ligand molecules. Both crystal structures are stabilized by O—H?O intermolecular hydrogen bonds between the complex and the water molecules. 相似文献
16.
Volodimir D. Vreshch Andrey B. Lysenko Harald Krautscheid Konstantin V. Domasevitch 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m443-m447
In bis[1‐(3‐pyridyl)butane‐1,3‐dionato]copper(II) (the Cu atom occupies a centre of inversion), [Cu(C9H8NO2)2], (I), and bis[1‐(4‐pyridyl)butane‐1,3‐dionato]copper(II) methanol solvate, [Cu(C9H8NO2)2]·CH3OH, (II), the O,O′‐chelating diketonate ligands support square‐planar coordination of the metal ions [Cu—O = 1.948 (1)–1.965 (1) Å]. Weaker Cu⋯N interactions [2.405 (2)–2.499 (2) Å], at both axial sides, occur between symmetry‐related bis(1‐pyridylbutane‐1,3‐dionato)copper(II) molecules. This causes their self‐organization into two‐dimensional square‐grid frameworks, with uniform [6.48 Å for (I)] or alternating [4.72 and 6.66 Å for (II)] interlayer separations. Guest methanol molecules in (II) reside between the distal layers and form weak hydrogen bonds to coordinated O atoms [O⋯O = 3.018 (4) Å]. 相似文献
17.
Paul G. Jene Christopher G. Pernin James A. Ibers 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):730-734
The X‐ray structure of 1,2,4,5‐tetrahydroxybenzene (benzene‐1,2,4,5‐tetrol) monohydrate, C6H6O4·H2O, (I), reveals columns of 1,2,4,5‐tetrahydroxybenzene parallel to the b axis that are separated by 3.364 (12) and 3.453 (11) Å. Molecules in adjacent columns are tilted relative to each other by 27.78 (8)°. Water molecules fill the channels between the columns and are involved in hydrogen‐bonding interactions with the 1,2,4,5‐tetrahydroxybenzene molecules. The crystal structure of the adduct 1,2,4,5‐tetrahydroxybenzene–2,5‐dihydroxy‐1,4‐benzoquinone (1/1), C6H6O4·C6H4O4, (II), reveals alternating molecules of 1,2,4,5‐tetrahydroxybenzene and 2,5‐dihydroxy‐1,4‐benzoquinone (both lying on inversion centers), and a zigzag hydrogen‐bonded network connecting molecules in three dimensions. For compound (II), the conventional X‐ray determination, (IIa), is in very good agreement with the synchrotron X‐ray determination, (IIb). When differences in data collection temperatures are taken into account, even the displacement parameters are in very good agreement. 相似文献
18.
Juliet A. Gerrard Susie J. Meade Jonathan C. Morris Peter J. Steel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1251-1253
The orthorhombic form of 2‐hydroxycyclopent‐2‐enone, C5H6O2, consists of chains of hydrogen‐bonded molecules aligned along a twofold screw axis. The monoclinic form contains two independent molecules, which have different orientations of the hydroxyl proton, and which assemble into ribbons along a twofold screw axis. 相似文献
19.
Gilles Muller Boris Schmidt Jan Jii
ek Jean‐Claude G. Bünzli Kurt J. Schenk 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o353-o356
L4, or 3‐[2,6‐bis(diethylcarbamoyl)pyridin‐4‐yl]‐N‐(tert‐butoxycarbonyl)alanine methyl ester, C24H38N4O6, crystallizes in neat [010] laths stabilized by abundant intra‐ and intermolecular hydrogen bonds. The strongest of these form [010] chains of molecules, thus rationalizing the fastest growth direction, while the slowest direction coincides with the normal to the (110) layers, which are linked by very weak hydrogen bonds. There exist two independent molecules, the distances and bond angles of which differ in a random manner only. The torsion and dihedral angles, however, differ so as to achieve optimal packing. The influence of the chiral group in the 4‐position of the pyridine ring on the helical wrapping and on the ensuing diastereomeric induction is briefly discussed. 相似文献
20.
Samuel Sakwa Kraig A. Wheeler 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o332-o334
The title compounds, bis(ammonium) naphthalene‐1,5‐disulfonate, 2NH4+·C10H6O6S22−, and bis[1‐(hydroxymethyl)‐3,5,7‐triaza‐1‐azoniatricyclo[3.3.1.13,7]decane] 1,5‐naphthalenedisulfonate, 2C7H15N4O+·C10H6O6S22−, were prepared from the acid‐promoted reaction of hexamethylenetetramine. In both structures, the disulfonate anion is positioned on an inversion center, with each sulfonate group contributing to the supramolecular assemblies via hydrogen bonds. The ammonium cations are linked to sulfonate groups by four distinct N+—H⃛−O—S contacts [N⃛O = 2.846 (2)–2.898 (2) Å and N—H⃛O = 160 (2)–175 (2)°], whereas the 1‐(hydroxymethyl)‐3,5,7‐triaza‐1‐azoniatricyclo[3.3.1.13,7]decane cations form one O—H⃛−O—S [O⃛O = 2.628 (2) Å and O—H⃛O = 176°] and three C—H⃛−O—S [C⃛O = 3.359 (2)–3.380 (2) Å and C—H⃛O = 148–155°] interactions to neighboring sulfonate groups. 相似文献