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1.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o675-o677
In the title adduct, 1,3,5,7‐tetraazatricyclo[3.3.1.13,7]decane–4‐nitrobenzene‐1,2‐diol–water (1/2/1), C6H12N4·2C6H5NO4·H2O, the hexamethylenetetramine molecule acts as an acceptor of intermolecular O—H?N hydrogen‐bonding interactions from the water molecule and the hydroxy groups of one of the two symmetry‐independent 4‐nitrocatechol molecules. The structure is built from molecular layers which are stabilized by three intermolecular O—H?O, two intermolecular O—H?N and four intermolecular C—H?O hydrogen bonds. The layers are further interconnected by one additional intermolecular O—H?N and two intermolecular C—H?O hydrogen bonds. 相似文献
2.
Bernardo Masci Stefano Levi Mortera Luca Seralessandri Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o107-o109
Two related compounds containing p‐tert‐butyl‐o‐methylene‐linked phenol or phenol‐derived subunits are described, namely 5,5′‐di‐tert‐butyl‐2,2′‐dihydroxy‐3,3′‐methylenedibenzaldehyde, C23H28O4, (I), and 6,6′‐di‐tert‐butyl‐8,8′‐methylenebis(spiro[4H‐1,3‐benzodioxin‐2,1′‐cyclohexane]), C35H48O4, (II). Both compounds adopt a `butterfly' shape, with the two phenol or phenol‐derived O atoms in distal positions. Phenol and aldehyde groups in (I) are involved in intramolecular hydrogen bonds and the two dioxin rings in (II) are in distorted half‐chair conformations. 相似文献
3.
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
4.
Ayhan Elmali Yaln Elerman Ingrid Svoboda 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):485-486
The title compound, N‐(5‐chloro‐2‐oxidobenzylidene)‐2‐hydroxy‐5‐methylanilinium, C14H12ClNO2, is a tridentate Schiff base with almost planar molecules. Each molecule contains a strong intramolecular N—H?O hydrogen bond [2.576 (2) Å]. There is also an intermolecular O—H?O hydrogen bond [2.695 (2) Å] linking neighbouring molecules into infinite chains along the [101] direction. 相似文献
5.
Mustafa OdabasÛoglu igdem Albayrak Orhan Büyükgüngr Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o616-o619
The title compounds, 2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C11H15NO4, (I), 6‐hydroxy‐2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C11H15NO5, (II), and 6‐methoxy‐2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C12H17NO5, (III), adopt the keto–amine tautomeric form, with the formal hydroxy H atom located on the N atom, and the NH group and oxo O atom display a strong intramolecular N—H⋯O hydrogen bond. The N—H⋯O hydrogen‐bonded rings are almost planar and coupled with the cyclohexadiene rings. The carbonyl O atoms accept two other H atoms from the alcohol groups of adjacent molecules in (I), and one from the alcohol and one from the phenol group in (II), but from only one alcohol H atom in (III). 相似文献
6.
Ying Xu Hong‐Xi Li Wen‐Hua Zhang Yong Zhang Jian‐Ping Lang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m4-m6
In the title compound, [Cu2I2(C11H16N4)2], each of the two crystallographically equivalent Cu atoms is tetrahedrally coordinated by two N atoms from one 1,1′‐methylenebis(3,5‐dimethyl‐1H‐pyrazole) ligand and two bridging iodide anions. The molecule has a crystallographic center of symmetry located at the mid‐point of the Cu·Cu line. One H atom of the CH2 group of the 1,1′‐methylenebis(3,5‐dimethyl‐1H‐pyrazole) ligand interacts with an iodide ion in an adjacent molecule to afford pairwise intermolecular C—H·I contacts, thereby forming chains of molecules running along the [101] direction. 相似文献
7.
Vukadin M. Leovac Violeta S. Jevtovi Goran A. Bogdanovi 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):m514-m516
The title complex, [Cu(NO3)(C10H14N4O2S)(H2O)](NO3), is the first metal complex with a Schiff base derived from isothiosemicarbazide and pyridoxal (pyridoxal is 3‐hydroxy‐5‐hydroxymethyl‐2‐methylpyridine‐4‐carboxaldehyde). The CuII environment is a square pyramid, the equatorial plane of which is formed by the tridentate ONN‐coordinated isothiosemicarbazone and one water molecule, while the nitrate ligand is in the apical position. The existence of numerous strong intermolecular hydrogen bonds, and weak C—H?O and C—H?π interactions, leads to a three‐dimensional supramolecular structure. 相似文献
8.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m271-m274
Hexamethylenetetramine, C6H12N4, and ferrocenecarboxylic acid, C11H10FeO2, form a 1:2 adduct, (I), which is a salt, viz. hexamethylenetetraminium(2+) bis(ferrocenecarboxylate), (C6H14N4)[Fe(C5H5)(C6H4O2)]2. The dication in (I) is disordered with two orientations at a site of mm2 symmetry in space group Fmm2, while the anion lies across a mirror plane with its unsubstituted cyclopentadienyl ring disordered over two sets of sites. With ferrocene‐1,1′‐dicarboxylic acid, C12H10FeO4, hexamethylenetetramine forms a 1:1 adduct, (II), in which both components are neutral, viz. hexamethylenetetramine–ferrocene‐1,1′‐dicarboxylic acid (1/1), [Fe(C6H5O2)2]·C6H12N4. The amine component in (II) is disordered with two orientations at a site of mm2 symmetry in space group Cmcm, while the acid component is disordered with two orientations at a site of 2/m symmetry. The components in (I) are linked into a finite three‐ion aggregate by a single N—H⃛O hydrogen bond, while the components of (II) are linked into continuous chains by a single O—H⃛N hydrogen bond. 相似文献
9.
Ramaiyer Venkatraman Paresh Chandra Ray Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o633-o635
Hexamethylenetetramine and rac‐trans‐1,2‐cyclohexanedicarboxylic acid crystallize in a 1:1 ratio as a neutral molecular adduct, C6H12N4·C8H12O4. Two dicarboxylic acid molecules and two tetramine molecules form a hydrogen‐bonded ring, in the shape of a rhombus, which lies on a crystallographic twofold axis bisecting the two diacid molecules. The O—H⋯N hydrogen bonds have lengths 2.6808 (19) and 2.6518 (19) Å, and, in each ring, both acid molecules have the same handedness. 相似文献
10.
Shyamaprosad Goswami Reshmi Mukherjee Kumaresh Ghosh Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):716-717
In the title compound, N‐(6‐chloro‐4‐oxo‐3,4‐dihydropteridin‐2‐yl)‐2,2‐dimethylpropanamide, C11H12ClN5O2, the rings in the pterin moiety are planar. The amide carbonyl O atom is in syn‐periplanar conformation while the C—N—C—C propanamide linkage is antiperiplanar. The N—H?N and N—H?O intermolecular hydrogen bonds transform the molecules into infinite chains. 相似文献
11.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o647-o649
Crystals of the title compound, C15H17NO3, were obtained from a condensation reaction of 3‐hydroxy‐4‐methoxybenzaldehyde with 1‐azabicyclo[2.2.2]octan‐3‐one and subsequent crystallization of the product from methanol. The title compound, containing a double bond that connects the azabicyclic ring system to the 3‐hydroxy‐4‐methoxybenzylidene group, was obtained with Z geometry. 相似文献
12.
Simon J. Garden Fernando R. da Cunha Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o12-o14
In 2‐hydroxy‐3‐iodo‐5‐nitrobenzaldehyde, C7H4INO4, the molecules are linked into sheets by a combination of C—H⋯O hydrogen bonds and two‐centre iodo–nitro interactions, and these sheets are linked by aromatic π–π stacking interactions. Molecules of 2,4‐diiodo‐6‐nitroanisole, C7H5I2NO3, are disordered, with the nitro group and one of the I substituents each occupying common sets of sites with 0.5 occupancy. The molecules are linked into isolated centrosymmetric dimeric units by a single iodo–nitro interaction. 相似文献
13.
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
14.
Zhi Min Jin Yuan Jiang Pan Duan Jun Xu Yuan Zhi Xu 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e69-e70
4‐Nitrophenol and 4‐methylpyridine form a 1:1 hydrogen‐bonded dimer, C6H5NO3.C6H7N, with the molecules linked by an O—H?N hydrogen bond [O?N 2.668 (2) Å]. The dihedral angle between the phenyl and pyridine ring is 57.8 (4)°. The dimers pack in a herring‐bone structure in the crystal lattice. 相似文献
15.
Vladimir N. Nesterov 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):o806-o809
In the title compound 3,5‐bis(4‐methoxybenzylidene)‐1‐methyl‐4‐piperidone, C22H23NO3, (I), the central heterocyclic ring adopts a flattened boat conformation, while in the related salt 3,5‐bis(4‐methoxybenzylidene)‐1‐methyl‐4‐oxopiperidinium chloride, C22H24NO3+·Cl−, (II), the ring exhibits a `sofa' conformation in which the N atom deviates from the planar fragment. The pendant benzene rings are twisted from the heterocyclic ring planes in both molecules in the same direction, the range of dihedral angles between the ring planes being 24.5 (2)–32.7 (2)°. The dominant packing motif in (I) involves centrosymmetric dimers bound by weak intermolecular C—H⋯O hydrogen bonds. In (II), cations and anions are linked by strong N—H⋯Cl hydrogen bonds, while weak C—H⋯O and C—H⋯Cl hydrogen bonds link the cations and anions into a three‐dimensional framework. 相似文献
16.
John Reglinski Michelle K. Taylor Alan R. Kennedy 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o169-o172
We have isolated and crystallographically characterized the three homologous compounds N,N′‐bis(2‐methoxybenzylidene)ethane‐1,2‐diamine (MeSalen), C18H20N2O2, N,N′‐bis(2‐methoxybenzylidene)propane‐1,3‐diamine (MeSalpr), C19H22N2O2, and N,N′‐bis(2‐methoxybenzylidene)butane‐1,4‐diamine (MeSalbu), C20H24N2O2. In contrast with MeSalpr, the molecules of MeSalen and MeSalbu, which have an even number of methylene units, have crystallographic symmetry. Comparing these methoxy‐substituted species with their hydroxy equivalents shows that the aryl rings rotate upon removal of the O—H⋯N hydrogen bonds. The packing of MeSalen and MeSalpr is controlled by C—H⋯π interactions, whereas that of MeSalbu has only van der Waals contacts. 相似文献
17.
David B. Lovejoy Des R. Richardson Paul V. Bernhardt 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):341-342
The potentially tridentate O,N,S‐donor ligand, 2‐hydroxy‐1‐naphthaldehyde 2‐methylthiosemicarbazone, C13H13N3OS, has been structurally characterized and the molecule is found to exhibit a distorted planar structure with the thiosemicarbazide moiety being twisted slightly out of the plane defined by the naphthyl ring. 相似文献
18.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o589-o590
In the title ternary complex, C10H9N2+·C7H3N2O6?·C7H4N2O6, the pyridinium cation adopts the role of the donor in an intermolecular N—H?O hydrogen‐bonding interaction with the carboxylate group of the 3,5‐dinitrobenzoate anion. The molecules of the ternary complex form molecular ribbons perpendicular to the b direction, which are stabilized by one N—H?O, one O—H?O and five C—H?O intermolecular hydrogen bonds. The ribbons are further interconnected by three intermolecular C—H?O hydrogen bonds into a three‐dimensional network. 相似文献
19.
Anwar Usman Suchada Chantrapromma Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o46-o47
In the title complex, the 1:1 ionic adduct of hexamethylenetetraminium and 2,4,6‐trinitrophenolate, C6H13N4+·C6H2N3O7?, the cation acts as a donor for bifurcated hydrogen bonds to the O atoms of the phenolate and one of the nitro groups of the 2,4,6‐trinitrophenolate anion. The crystal structure is built from sheets of cations and anions, and is stabilized by intermolecular C—H?O and C—H?π interactions. 相似文献
20.
John Nicolson Low Justo Cobo Manuel Nogueras Adolfo Snchez Braulio Insuasty Harlen Torres 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o39-o41
2,2‐Dimethyl‐5‐[3‐(4‐methylphenyl)‐2‐propenylidene]‐1,3‐dioxane‐4,6‐dione, C16H16O4, crystallizes in the triclinic space group , with two molecules in the asymmetric unit. These molecules and a centrosymmetrically related pair, linked together by weak C—H?O hydrogen bonds, form a tetramer. 5‐[3‐(4‐Chlorophenyl)‐2‐propenylidene]‐2,2‐dimethyl‐1,3‐dioxane‐4,6‐dione, C15H13ClO4, also crystallizes in the triclinic space group , with one molecule in the asymmetric unit. Centrosymmetrically related molecules are linked together by weak C—H?O hydrogen bonds to form dimers which are further linked by yet another pair of centrosymmetrically related C—H?O hydrogen bonds to form a tube which runs parallel to the a axis. 相似文献