共查询到20条相似文献,搜索用时 15 毫秒
1.
Edward E. vila Asilo J. Mora Gerzon E. Delgado Belkis M. Ramírez Alí Bahsas Sonia Koteich 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o759-o761
In the title compound, C7H13NO2·0.5H2O, cis‐4‐aminocyclohexanecarboxylic acid exists as a zwitterion and co‐crystallizes with water molecules in a 2:1 amino acid–water ratio. The cyclohexane ring adopts a chair conformation, with the carboxylate and ammonium groups in axial and equatorial positions, respectively. The basic motif in the crystal structure is a sandwich structure, formed by two amino acid units linked by head‐to‐tail hydrogen bonds. Hydrogen bonds of the type N+—H⋯O—C—O− link these motifs, forming helicoidally extended chains running along the c axis. The water molecule lies on a twofold axis and interacts with the chains by means of O—H⋯O hydrogen bonds. 相似文献
2.
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
3.
Raymond C. Bott Graham Smith Urs D. Wermuth 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1505-1506
The crystal structure determination of the molecular proton‐transfer adduct of Kemp's triacid (cis‐cis‐1,3,5‐trimethylcyclohexane‐1,3,5‐tricarboxylic acid, KTA) with 2‐aminopyridine (2‐APY), namely 2‐aminopyridinium 3,5‐dicarboxy‐1,3,5‐trimethylcyclohexanecarboxylate, 2‐APY+·KTA? or C5H7N2+·C12H17O6?, has revealed a centrosymmetric hydrogen‐bonded cyclic KTA homodimer repeating unit [O?O 2.524 (4) Å] linked into a polymer structure through the pyridinium and amino groups of the 2‐APY molecule [O?N 2.736 (4), 2.989 (4) and 2.999 (4) Å]. 相似文献
4.
Goverdhan Mehta Saikat Sen Siddharth Dey 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o358-o360
In the title compound, C6H12O4·H2O, 1,4/2,5‐cyclohexanetetrol and water molecules are seen to possess twofold symmetry. All four hydroxyl groups of the tetrol participate in extensive intermolecular O—H⋯O hydrogen bonding to form molecular tapes propagating along the a axis. Translationally related tapes along the c axis are held together by four coordinated water molecules. 相似文献
5.
Stepan S. Basok Gabriele Bocelli Eduard V. Ganin Marina S. Fonari Yurii A. Simonov 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o50-o52
In the title compound, 2C8H18NO3+·2C7H6NO2−·3H2O, proton transfer occurs from the carboxylic acid group of the 4‐aminobenzoic acid (PABA) molecule to the amine group of the macrocycle, resulting in the formation of a salt‐like adduct. The anions are combined into helical chains which are further bound by the water molecules into sheets. The macrocyclic cations are situated between these layers and are bound to the anions both directly and via bridging water molecules. The structure exhibits a diverse system of hydrogen bonding. 相似文献
6.
Boris Shivachev Rosica Petrova Emilia Naydenova 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o524-o526
The title compound [systematic name: 1′‐aminocyclohexanespiro‐4′‐imidazole‐2′,5′(3′H,4′H)‐dione], C8H13N3O2, has been synthesized and was found to crystallize in two different structures, both monoclinic and both with the same P21/c space group. In the first structure, there are two molecules in the asymmetric unit, one of which uses all of its hydrogen‐bond donors and acceptors and forms undulating layers, while the other forms chains propagating perpendicular to the layers. In the second structure, there is only one independent molecule and the packing is based on a chain structure mediated by hydrogen bonding between the hydantoin moieties and further grouped into hydrophilic layers separated by layers of the hydrophobic cyclohexyl groups. 相似文献
7.
Genivaldo Julio Perptuo Jan Janczak 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o112-o114
The crystals of the title new melaminium salt, 2,4,6‐triamino‐1,3,5‐triazin‐1‐ium acetate acetic acid solvate monohydrate, C3H7N6+·CH3COO?·CH3COOH·H2O, are built up from singly protonated melaminium residues, acetate anions, and acetic acid and water molecules. The melaminium residues are interconnected by N—H?N hydrogen bonds to form chains along the [010] direction. These chains of melaminium residues form stacks aligned along the a axis. The acetic acid molecules interact with the acetate anions via the H atom of their carboxylic acid groups and, together with the water molecules, form layers that are parallel to the (001) plane. The oppositely charged moieties interact via multiple N—H?O hydrogen bonds that stabilize a pseudo‐two‐dimensional stacking structure. 相似文献
8.
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
9.
Michael K. Dowd Edwin D. Stevens 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o397-o399
Gossypol and cyclododecanone crystallize at room temperature as an inclusion complex in a 1:2 molar ratio. This complex, viz. 1,1′,6,6′,7,7′‐hexahydroxy‐5,5′‐diisopropyl‐3,3′‐dimethyl‐2,2′‐binaphthalene‐8,8′‐dicarboxaldehyde–cyclododecanone (1/2), C30H30O8·2C12H22O, is unusual in that there is limited intermolecular hydrogen bonding within the structure. Each cyclododecanone molecule accepts a hydrogen bond from a gossypol molecule, but there are no gossypol‐to‐gossypol hydrogen‐bond interactions. The gossypol molecules form a framework structure enclosing channels, and the cyclododecanone molecules lie in these channels. In terms of the number of non‐H guest atoms, this is the largest gossypol inclusion complex reported to date. 相似文献
10.
Ming‐Hua Huang Li‐Hua Bi Shao‐Jun Dong 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):m30-m32
Both coordination and hydrogen bonds contribute to networking in the supramolecular title compound, [Co(C6H6NO3S)(C12H8N2)(H2O)3]Cl, which contains a discrete [Co(C6H6NO3S)(C12H8N2)(H2O)3]+ complex cation, formed by one 4‐aminobenzenesulfonate ligand, one 1,10‐phenanthroline ligand and three coordinated water molecules, together with one uncoordinated chloride anion. These discrete cations and chloride anions are connected by hydrogen‐bonding interactions into a two‐dimensional supramolecular motif. Further hydrogen‐bonding interactions consolidate the structural architecture and extend the two‐dimensional supramolecular structure into a three‐dimensional network. 相似文献
11.
Marina S. Fonari Yurii A. Simonov Mark Botoshansky Eduard V. Ganin Arkadii A. Yavolovskii 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):o88-o90
In the title hydrated adduct, 1,4,10,13‐tetraoxa‐7,16‐diazoniacyclooctadecane bis(4‐aminobenzenesulfonate) dihydrate, C12H28N2O42+·2C6H6NO3S−·2H2O, formed between 7,16‐diaza‐18‐crown‐6 and the dihydrate of 4‐aminobenzenesulfonic acid, the macrocyclic cations lie across centres of inversion in the orthorhombic space group Pbca. The anions alone form zigzag chains, and the cations and anions together form sheets that are linked via water molecules and anions to form a three‐dimensional grid. 相似文献
12.
Katharine F. Bowes George Ferguson Christopher Glidewell Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o467-o469
The title compound is a hydrated salt, 1,4‐diazoniabicyclo[2.2.2]octane–N‐[(hydroxyphosphinato)methyl]iminiodiacetate–water (1/1/1.5), C6H14N22+·C5H8NO7P2?·1.5H2O, in which one of the water molecules lies across a twofold rotation axis in space group P2/n. The ionic components are linked into sheets by a combination of a three‐centre N—H?(O)2 hydrogen bond and two‐centre O—H?O and N—H?O hydrogen bonds, and these sheets are pairwise linked by the water molecules into bilayers, by means of further O—H?O hydrogen bonds. 相似文献
13.
Hugh W. Thompson Marie L. Cot Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o727-o729
The title compound, (1R)‐4,7,7‐trimethyl‐3‐oxobicyclo[2.2.1]heptane‐2‐endo‐acetic acid, C12H18O3, like its lower homolog, forms carboxyl‐to‐ketone hydrogen‐bonding catemers (Z′ = 2) [O⋯O = 2.729 (5) and 2.707 (5) Å, and O—H⋯O = 165 and 170°] with screw‐related components. The two molecules of the asymmetric unit differ slightly in conformation and produce two counter‐aligned hydrogen‐bonding chains, both aligned with the b axis. Close intermolecular C—H⋯O=C contacts exist for the ketone group of one molecule and for both the ketone and carboxyl functions in the other. 相似文献
14.
Anthony Linden Ihsan alis Markus Neuburger Otto Sticher 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):616-618
The title compound, [2aS‐(2aα,4aα,5α,7bα)]‐5‐(β‐d ‐glucopyranosyloxy)‐2a,4a,5,7b‐tetrahydro‐1‐oxo‐1H‐2,6‐dioxacyclopent[cd]inden‐4‐ylmethyl acetate monohydrate, C18H22O11·H2O, was extracted from the Turkish plant Putoria calabrica (L. fil.) DC. The three fused rings have envelope or distorted envelope conformations and form a bowl in which ring strain causes distortion of some bond angles and significant pyramidalization of two of the Csp2 atoms. The ring junction H atoms are all cis to one another and the glycosidic linkage is in the β axial position. The structure incorporates two symmetry‐independent water molecules, each of which is located on a twofold axis. Intermolecular hydrogen bonds involving all the hydroxy groups and water molecules link the molecules into a complex three‐dimensional framework. 相似文献
15.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o575-o581
The crystal structures of quinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate trihydrate, C9H8N+·C7H5O6S−·3H2O, (I), 8‐hydroxyquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate monohydrate, C9H8NO+·C7H5O6S−·H2O, (II), 8‐aminoquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate dihydrate, C9H9N2+·C7H5O6S−·2H2O, (III), and 2‐carboxyquinolinium 3‐carboxy‐4‐hydroxybenzenesulfonate quinolinium‐2‐carboxylate, C10H8NO2+·C7H5O6S−·C10H7NO2, (IV), four proton‐transfer compounds of 5‐sulfosalicylic acid with bicyclic heteroaromatic Lewis bases, reveal in each the presence of variously hydrogen‐bonded polymers. In only one of these compounds, viz. (II), is the protonated quinolinium group involved in a direct primary N+—H⋯O(sulfonate) hydrogen‐bonding interaction, while in the other hydrates, viz. (I) and (III), the water molecules participate in the primary intermediate interaction. The quinaldic acid (quinoline‐2‐carboxylic acid) adduct, (IV), exhibits cation–cation and anion–adduct hydrogen bonding but no direct formal heteromolecular interaction other than a number of weak cation–anion and cation–adduct π–π stacking associations. In all other compounds, secondary interactions give rise to network polymer structures. 相似文献
16.
Delphine Firley Bernard Fraisse Fatima Zouhiri Anne Spasojevi‐de Bir Didier Desmaële Jean D'Angelo Nour Eddine Ghermani 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o154-o157
Both 7‐carboxylato‐8‐hydroxy‐2‐methylquinolinium monohydrate, C11H9NO3·H2O, (I), and 7‐carboxy‐8‐hydroxy‐2‐methylquinolinium chloride monohydrate, C11H10NO3+·Cl−·H2O, (II), crystallize in the centrosymmetric P space group. Both compounds display an intramolecular O—H⋯O hydrogen bond involving the hydroxy group; this hydrogen bond is stronger in (I) due to its zwitterionic character [O⋯O = 2.4449 (11) Å in (I) and 2.5881 (12) Å in (II)]. In both crystal structures, the HN+ group participates in the stabilization of the structure via intermolecular hydrogen bonds with water molecules [N⋯O = 2.7450 (12) Å in (I) and 2.8025 (14) Å in (II)]. In compound (II), a hydrogen‐bond network connects the Cl− anion to the carboxylic acid group [Cl⋯O = 2.9641 (11) Å] and to two water molecules [Cl⋯O = 3.1485 (10) and 3.2744 (10) Å]. 相似文献
17.
Alexander J. Blake Lorenzo Tei Claire Wilson Martin Schrder 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m43-m45
The asymmetric unit of {[4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononan‐1‐yl]acetato}zinc(II) triaqua{μ‐[4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononan‐1‐yl]acetato}lithium(I)zinc(II) chloride diperchlorate, [Zn(C12H26N5O2)][LiZn(C12H26N5O2)(H2O)3]Cl(ClO4)2, obtained from the reaction between the lithium salt of 4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononane‐1‐acetate and Zn(ClO4)2, contains two ZnII complexes in which each ZnII ion is six‐coordinated by five N‐atom donors and one O‐atom donor from the ligand. One carboxylate O‐atom donor is not involved in coordination to a ZnII atom, but coordinates to an Li+ ion, the tetrahedral geometry of Li+ being completed by three water molecules. The two complexes are linked via a hydrogen bond between a primary amine N—H group and the carboxylate‐O atom not involved in coordination to a metal. 相似文献
18.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o339-o341
The crystal structure of the title new melaminium salt, 2,4,6‐triamino‐1,3,5‐triazin‐1‐ium glutarate monohydrate, C3H7N6+·C5H7O4?·H2O, is built up from singly protonated melaminium residues, mono‐dissociated glutarate ions and water molecules. The melaminium residues are interconnected by four N—H?N hydrogen bonds to form chains. These chains of melaminium residues form a stacking structure. The glutarate anions form a hydrogen‐bonded zigzag polymer of the form [?HOOC(CH2)3COO?HOOC(CH2)3COO?]n. The oppositely charged moieties, i.e. the melaminium and glutarate chains, form two‐dimensional polymeric sheets. These sheets are interconnected by O—H?O hydrogen bonds between the COO? moieties and the water molecules, and these hydrogen bonds stabilize the stacking structure. 相似文献
19.
Alan Barcon Andrew P. J. Brunskill Roger A. Lalancette Hugh W. Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o154-o156
The crystal structures for the title compounds reveal fundamentally different hydrogen‐bonding patterns. ()‐3‐Oxocyclohexanecarboxylic acid, C7H10O3, displays acid‐to‐ketone catemers having a glide relationship for successive components of the hydrogen‐bonding chains which advance simultaneously by two cells in a and one in c [O?O = 2.683 (3) Å and O—H?O = 166°]. A pair of intermolecular close contacts exists involving the acid carbonyl group. The asymmetric unit in ()‐3‐oxocyclohexaneacetic acid, C8H12O3, utilizes only one of two available isoenthalpic conformers and its aggregation involves mutual hydrogen bonding by centrosymmetric carboxyl dimerization [O?O = 2.648 (3) Å and O—H?O = 171°]. Intermolecular close contacts exist for both the ketone and the acid carbonyl group. 相似文献
20.
Kenneth W. Muir Alistair Macdonald Alistair Murray Allison Macdonald 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):534-535
The title acid salt, Na+·C4H5O2?·2C4H6O2, contains finite anions in which two cyclopropanoic acid molecules are hydrogen bonded to a cyclopropanoate residue. Each such anion interacts with four different Na+ cations. 相似文献