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1.
Yang‐Yi Yang Xiao‐Ming Chen Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):e111-e112
In the asymmetric unit of the title compound, 2C12H24N+·C6H8O42?·H2O, the carboxylate ion lies about an inversion center, the water molecule is on a twofold axis and the sec‐ammonium cation is in a general position. Cations link the oxygen ends of two adjacent carboxylate anions to form an eight‐membered ring [N?O 2.683 (3) and 2.711 (3) Å]. The ion pair propagates as a linear chain and adjacent chains are linked through the water molecules [O?O 2.966 (3) Å] into layers. 相似文献
2.
Sabahat
zcan Engin Kendi Meral Tunbilek Hakan Gker 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):459-460
The title compound, C21H23ClN4O2·0.5H2O, contains two independent molecules in the asymmetric unit. In each molecule the piperazine ring adopts a chair conformation; the deviations of the piperazine N atoms from the best plane through the remaining four C atoms are ?0.678 (3) and 0.662 (3) Å in molecule A, and 0.687 (3) and ?0.700 (3) Å in molecule B. The molecules are linked by two hydrogen bonds of the O—H?N type involving the O atom of the water molecule of crystallization. 相似文献
3.
Manuela Ramos Silva Jose A. Paixo Ana Matos Beja Luiz Alte da Veiga 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):838-840
The title compound, C3H7NO2·C3H8NO2+·NO3?, contains l ‐alanine–alaninium dimers bonded via the carboxyl groups by a strong asymmetric hydrogen bond with an O?O distance of 2.4547 (19) Å. The neutral alanine molecule exists as a zwitterion, where the carboxyl group is dissociated and the amino group is protonated. The alaninium cation has both groups in their acidic form. The alanine molecule and the alaninium cation differ only slightly in their conformation, having an N—Cα—C=O torsion angle close to ?25°. The dimers and the nitrate anion are joined through a three‐dimensional hydrogen‐bond network, in which the full hydrogen‐bonding capabilities of the amino groups of the two alanine moieties are realised. 相似文献
4.
Anwar Usman Suchada Chantrapromma Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o136-o138
In the title 1/2/2 adduct, C4H12N22+·2C6H3N2O5?·2H2O, the dication lies on a crystallographic inversion centre and the asymmetric unit also has one anion and one water molecule in general positions. The 2,4‐dinitrophenolate anions and the water molecules are linked by two O—H?O and two C—H?O hydrogen bonds to form molecular ribbons, which extend along the b direction. The piperazine dication acts as a donor for bifurcated N—H?O hydrogen bonds with the phenolate O atom and with the O atom of the o‐nitro group. Six symmetry‐related molecular ribbons are linked to a piperazine dication by N—H?O and C—H?O hydrogen bonds. 相似文献
5.
Roman Jambor Ivana Císaov Ale Rui
ka Jaroslav Hole
ek 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):373-374
In the title compound, [Sn(C6H5)2(C12H19N2)]Br·H2O, the SnIV atom lies on a twofold axis and is coordinated by a C and two N atoms from the 2,6‐bis[(dimethylamino)methyl]phenyl ligand in a tridentate fashion and by two phenyl groups. The resulting geometry is intermediate between square pyramidal and trigonal bipyramidal, with three C atoms in equatorial and the two N atoms in axial positions. The main deformation from ideal trigonal‐bipyramidal geometry is seen for the N—Sn—N angle [152.18 (7)°]. The Br? anion and the water solvate molecule are on an inversion centre and twofold axis, respectively. They form an infinite chain of Br?H—O—H?Br hydrogen bonds [Br?O 3.529 (2) Å] without contributing to the primary coordination sphere of the Sn atom. 相似文献
6.
Bing‐Xin Liu Duan‐Jun Xu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m137-m139
Crystals of the title compound, [Cr(C4H5NO4)(C6H6N4S2)(H2O)]Cl·H2O, consist of CrIII complex cations, Cl− counter‐ions and lattice water molecules. The complex cation assumes an octahedral coordination geometry, formed by a tridentate iminodiacetate dianion (IDA), a diaminobithiazole (DABT) molecule and a water molecule. The planar DABT group chelates the CrIII ion with normal Cr—N distances [2.0574 (17) and 2.0598 (17) Å], but the DABT molecule is inclined to the coordination plane by a dihedral angle of 17.23 (7)°. In the monodentate carboxylate groups of the IDA ion, the coordinated C—O bonds [1.288 (3) and 1.284 (3) Å] are much longer than the uncoordinated C—O bonds [1.222 (3) and 1.225 (3) Å]. 相似文献
7.
A. A. A. Emara Jeanette A. Krause Bauer A. Galal 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):515-517
The title compound crystallizes as the monohydrate, [Co(SeO3)(NH3)4]NO3·H2O. The crystallographic mirror symmetry coincides with the molecular symmetry; the mirror plane passes through the cation, anion and water molecule. The CoN4O2 octahedron is distorted, with the selenito group acting as a bidentate ligand through two bridging O atoms to the cobalt. The coordinated Se—O distance is 1.742 (2) Å, whereas the uncoordinated Se—O distance is 1.646 (3) Å. A three‐dimensional hydrogen‐bonded network exists between [Co(SeO3)(NH3)4]NO3 and the water molecule. The nitrate anion and water molecule form open pores in the structure when hydrogen bonded to two neighboring [Co(SeO3)(NH3)4]+ cations. Selenium participates in two types of relatively close intermolecular interactions with neighboring charged species (Se?N1 and Se?O3), but does not participate in an interaction with a neighboring O2 atom, the nearest contact distance being 4.638 (3) Å. 相似文献
8.
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
9.
Yi‐Xun Zhang Shauntina H. Jackson Mohamed S. Rajab Frank R. Fronczek Steven F. Watkins 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o219-o221
3β‐Hydroxy‐7‐drimen‐12,11‐olide hemihydrate, C15H22O3·0.5H2O, (I), has two sesquiterpene molecules and one water molecule in the asymmetric unit. The OH groups of both molecules and both H atoms of the water molecule are involved in near‐linear intermolecular hydrogen bonds, having O⋯O distances in the range 2.632 (3)–2.791 (2) Å. 3β‐Acetoxy‐7‐drimen‐12,11‐olide, C17H24O4, (II), has its ring system in very nearly the same conformation as the two molecules of (I). 相似文献
10.
Katharine F. Bowes Christopher Glidewell John N. Low 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o409-o415
The structure of tetrameric triphenylsilanol, C18H16OSi, (I), has been re‐investigated at 120 (2) K. The hydroxyl H atoms were readily located and one of the arene rings is disordered over two closely positioned sets of sites. The molecules are linked into cyclic tetramers, having approximate (S4) symmetry, via O—H?O hydrogen bonds [H?O 1.81–1.85 Å, O?O 2.634 (3)–2.693 (3) Å and O—H?O 156–166°]. At ambient temperature, there are indications of multiple disorder of the phenyl‐ring sites. In bis(triphenylsilanol) dimethyl sulfoxide solvate, 2C18H16OSi·C2H6OS, (II), the dimethyl sulfoxide component is disordered across a twofold rotation axis in C2/c, and the molecular components are linked by a single O—H?O hydrogen bond [H?O 1.85 Å, O?O 2.732 (2) Å and O—H?O 172°] into three‐molecule aggregates, which are themselves linked into a single three‐dimensional framework by two C—H?π(arene) interactions. In tetrakis(triphenylsilanol) 1,4‐dioxan solvate, 4C18H16OSi·C4H8O2, (III), the 1,4‐dioxan component lies across an inversion centre in space group P and centrosymmetric five‐molecule aggregates are linked by paired C—H?π(arene) interactions to form molecular ladders. 相似文献
11.
Neil F. Curtis Rebekah Pawley Ward T. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m352-m354
The title compound, [NiCl(C12H32N6)(H2O)]Cl3·3H2O, has the bis(diamine)‐substituted cyclic tetraamine in a planar coordination to triplet ground‐state NiII [average Ni—N = 2.068 (3) Å], with a chloride ion [Ni—Cl = 2.4520 (5) Å] and a water molecule [Ni—O = 2.177 (2) Å] coordinated in the axial sites. The amine substituents are protonated and equatorially oriented. The amine groups, ammonium groups, water molecules and chloride ions are linked by an extensive hydrogen‐bonding network. 相似文献
12.
Dubravka Matkovi‐alogovi Jasminka Popovi Zora Popovi Igor Picek
eljka Soldin 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m39-m40
The title compound, [HgBr(C7H4NO4)(H2O)], was obtained by the reaction of an aqueous solution of mercury(II) bromide and pyridine‐2,6‐dicarboxylic acid (picolinic acid, dipicH2). The shortest bond distances to Hg are Hg—Br 2.412 (1) Å and Hg—N 2.208 (5) Å; the corresponding N—Hg—Br angle of 169.6 (1)° corresponds to a slightly distorted linear coordination. There are also four longer Hg—O interactions, three from dipicH? [2.425 (4) and 2.599 (4) Å within the asymmetric unit, and 2.837 (4) Å from a symmetry‐related molecule] and one from the bonded water molecule [2.634 (4) Å]. The effective coordination of Hg can thus be described as 2+4. The molecules are connected to form double‐layer chains parallel to the y axis by strong O—H?O hydrogen bonds between carboxylic acid groups of neighbouring molecules, and by weaker hydrogen bonds involving both H atoms of the water molecule and the O atoms of the carboxylic acid groups. 相似文献
13.
Daron E. Janzen Kent R. Mann 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o198-o199
The crystal structure of the title compound, C6H16N+·C24H20B−·CH2Cl2, displays an N—H⋯π interaction between the triethylammonium cation and a phenyl ring of the tetraphenylborate anion. The distance between the ammonium H atom and the edge of this phenyl ring is 2.40 (3) Å. The ammonium group and the aryl moiety are nearly perpendicular, forming an intramolecular dihedral angle of 90.4°. A C—H⋯π interaction between the disordered dichloromethane solvate molecule and a phenyl ring of the tetraphenylborate anion is also present. 相似文献
14.
Katharine F. Bowes George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o147-o149
The title compound is an ethanol‐solvated salt, C16H38N42+·2C11H7O2−·2C2H6O, in which the cation lies across a centre of inversion in P21/c. The ions are linked by N—H⃛O hydrogen bonds [H⃛O = 1.70 and 2.30 Å, N⃛O = 2.624 (2) and 3.136 (2) Å, and N—H⃛O = 178 and 151°], and the ethanol molecule is linked to the anion by an O—H⃛O hydrogen bond [H⃛O = 1.90 Å, O⃛O = 2.728 (2) Å and O—H⃛O = 171°], to form a centrosymmetric five‐component aggregate. C—H⃛O hydrogen bonds and aromatic π–π‐stacking interactions are absent, but the aggregates are linked into sheets by a single C—H⃛π(arene) hydrogen bond. 相似文献
15.
Miroslav Bo
a Duan Valigura Ingrid Svoboda Hartmut Fuess Wolfgang Linert 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):838-839
The title compound, C19H14N5+·ClO4?·H2O, contains planar C19H14N5+ cations, perchlorate anions and water molecules. The two closest parallel cations (plane‐to‐plane distance of 3.41 Å), together with two neighbouring perchlorate anions and two water molecules, form an electrically neutral quasi‐dimeric unit. Two acidic H atoms of the cation, both H atoms of the water molecule, the N atoms of the imidazole rings and three of the four O atoms of the perchlorate anion are involved in the hydrogen‐bonding network within the dimeric unit. The remaining third acidic H atom of the imidazole rings and the water molecules complete a two‐dimensional network of hydrogen bonds, thus forming puckered layers of dimers. The angle between the planes of two neighbouring dimeric units in the same layer is 33.25 (3)°. 相似文献
16.
Gareth R. Lewis Alexander J. Blake 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):m398-m400
The title complex, [NiCl(C12H16N3O2)2(H2O)]NO3·2CH4O·H2O, was obtained from a methanolic solution of Ni(NO3)2·6H2O, 2‐pyridyl nitronyl nitroxide (2‐NITpy) and (NEt4)2[CoCl4]. The equatorial coordination sites of the octahedral NiII centre are occupied by two chelating radical ligands, with the axial positions occupied by the Cl? and water ligands. The H2O—Ni—Cl axis of the complex lies along a crystallographic twofold axis, so that only half the cation is present in the asymmetric unit. The Ni—Cl bond length [2.3614 (17) Å] is significantly shorter than distances typical of octahedral NiII centres [2.441 (5) Å]. However, with only one nitrate anion per formula unit, the oxidation state of the metal must be assigned as NiII. The 2‐NITpy ligands bend away from the equatorial plane, forming a hydrophobic region around the Cl atoms. Conversely, the ligated water molecule forms moderately strong hydrogen bonds with the disordered methanol solvent molecules, which in turn form interactions with the water of crystallization and the disordered nitrate anion. These interactions combine to give hydrophilic regions throughout the crystal structure. 相似文献
17.
John A. Cowan J. A. K. Howard M. A. Leech 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(3):302-303
2,5-Dihydroxy-1,4-benzoquinone (DHBQ) and 4,4′-bipyridine (BPY) crystallize in a 1:1 ratio as a neutral molecular adduct, C6H4O4·C10H8N2, in space group C2/c, with half of each molecule in the asymmetric unit. The molecules are linked by a strong O—H⃛N hydrogen bond [O⃛N 2.6323 (15) Å] and a weak C—H⃛O hydrogen bond [C⃛O 3.2082 (17) Å] to form infinite stacks of parallel one-dimensional hydrogen-bonded ribbons. The two rings of the bipyridine are twisted at 28.3° with respect to each other, and the benzoquinone ring is inclined at an angle of 18.3° with respect to the plane of the neighbouring pyridine ring. The 4,4′-bipyridine molecule lies on a twofold axis and the benzoquinone molecule lies across an inversion centre. 相似文献
18.
Michael Wiebcke Jürgen Felsche 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1050-1052
In the title compound, tetraethylammonium hydroxide pentahydrate, C8H20N+·OH?·5H2O, layers of approximately hexagonally close‐packed NEt4+ cations and anionic layers of hydroxide and water molecules are stacked alternately along the b axis. All hydroxide and water H atoms are in ordered positions, giving rise to a network of hydrogen bonds [O?O 2.633 (1)–2.947 (2) Å] with four‐ and six‐membered rings. The hydroxide ion accepts four hydrogen bonds from four water molecules but does not act as a proton donor. 相似文献
19.
Viktor Kettmann Jan Lokaj Christoph Kratky Viktor Milata Pavol Hodul 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1007-1008
In the title compound, C14H15N3O4·H2O, there is a strong conjugation push–pull effect across the central double bond, as reflected in the molecular dimensions and the planarity of the enaminone portion of the molecule. The molecule has an intramolecular hydrogen bond between the NH and CO groups in the Z configuration, adopting the chelated form. The two π systems of the molecule (1‐methylbenzimidazole and enaminone) are deconjugated and tilted with respect to each other by 15.6 (2)°. The solvent water molecule is hydrogen bonded to the N1 atom of the 1‐methylbenzimidazolyl group. 相似文献
20.
Ralf Weisbarth Martin Jansen 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o189-o190
Tetrakis(chloromethyl)phosphonium chloride monohydrate, C4H8Cl4P+·Cl?·H2O or P(CH2Cl)4+·Cl?·H2O, is the first crystal structure determination of a tetrakis(halogenomethyl)phosphonium compound to date. The only comparable structures known so far are of phosphonium ions containing just one halogenomethyl group. The solvent water molecule interacts with the Cl? anion via hydrogen bonds, with O?Cl distances of 3.230 (2) and 3.309 (2) Å. The structure also contains several C—H?Cl? and C—H?O contacts, though with longer D?A distances [D?A 3.286 (3)–3.662 (2) Å] or bent D—H?A angles. For these reasons, the C—H?Cl? and C—H?O interactions should not be considered as strong hydrogen bonds. 相似文献