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1.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e149-e150
In the three title crystal structures 4‐(dimethylamino)pyridinium 2,4‐dinitrobenzoate, (I), 4‐(dimethylamino)pyridinium 3,4‐dinitrobenzoate, (II), and 4‐(dimethylamino)pyridinium 3,5‐dinitrobenzoate, (III), all C7H11N2+·C7H3N2O6?, the ions are connected by an N—H?O hydrogen bond. Dihedral angles between the pyridine and phenyl rings are 69.9 (1), 26.7 (1) and 56.2 (1)° in (I), (II) and (III), respectively. Donor–acceptor π–π stacking is observed in (II) and (III), but not in (I). 相似文献
2.
Jason Shearer Werner Kaminsky Julie A. Kovacs 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):m379-m380
A trimeric compound containing CoII is described, namely tris{μ‐2‐[3‐(dimethylamino)propylimino]propane‐1‐thiolato}tricobalt(II) chloride bis(hexafluorophosphate), [Co3(C10H21N2S)3]Cl(PF6)2. Each Co atom is ligated by one 2‐[3‐(dimethylamino)propylimino]propane‐1‐thiolate ligand, an amine group and an imine group. The thiolate groups bridge the Co atoms, forming a six‐membered ring that encloses the chloride ion in a well defined binding pocket. 相似文献
3.
The title compound, catena‐poly[[bromocopper(II)]‐μ‐(quinolin‐8‐yloxy)acetato‐κ4N,O,O′:O′′], [CuBr(C11H8NO3)]n, is a novel carboxylate‐bridged one‐dimensional helical copper(II) polymer. The metal ion exhibits an approximately square‐pyramidal CuBrNO3 coordination environment, with the three donor atoms of the ligand and the bromide ion occupying the basal positions, and an O atom belonging to the carboxylate group of an adjacent molecule in the apical site. Carboxylate groups are mutually cis oriented, and each anti–anti carboxylate group bridges two copper(II) ions via one apical and one basal position [Cu⋯Cu = 5.677 (1) Å], resulting in the formation of a helical chain along the crystallographic b axis. 相似文献
4.
Yoshiki Ohgo Saburo Neya Noriaki Funasaki Mikio Nakamura 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):694-695
The title complex, (diethyl 3,4,8,15,19,20‐hexamethyl‐21,22,23,24‐tetraazopentacyclo[16.2.1.12,5.17,11.114,17]tetracosa‐1(20),2(22),3,5,7,9,11,13(24),14,16,18‐undecaene‐9,14‐dicarboxylate‐κ4N)iodoiron(III) chloroform solvate, [Fe(C32H32N4O4)I]·CHCl3, shows an almost planar arrangement of the corrphycene moiety with a slightly distorted trapezoid pyramidal core; the FeIII atom is 0.416 (1) Å from the plane of the C20N4 system. The Fe—N distances are 2.049 (3), 2.044 (3), 2.079 (3) and 2.075 (3) Å. The solvated chloroform forms a C—H?O hydrogen bond [C?O 3.107 (10) Å] to an adjacent carbonyl O atom. This is the first X‐ray structure analysis of a corrphycenatoiron(III) derivative. 相似文献
5.
Nobuo Okabe Yasunori Muranishi 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):m475-m477
The molecules of 8‐hydroxyquinolinium‐2‐carboxylate, C10H7NO3, have a planar structure, in which the carboxyl group is ionized and the ring N atom is protonated. The derived nickel(II) complex, bis(8‐hydroxyquinoline‐2‐carboxylato‐κ3O2,N,O8)nickel(II) trihydrate, [Ni(C10H6NO3)2]·3H2O, contains an octahedral central NiII ion coordinated by the hydroxyl O atom, the ring N atom and the carboxylate O atom of each of the two tridentate ligands, with a perpendicular orientation of the quinoline rings. 相似文献
6.
Heinrich Billetter Frauke Hohn Ingo Pantenburg Uwe Ruschewitz 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):m130-m131
In the title compound, catena‐poly[[[triaquacopper(II)]‐μ‐acetylenedicarboxylato‐κ2O:O′′] hydrate], {[Cu(C4O4)(H2O)3]·H2O}n, the CuII ion is coordinated by two monodentate carboxylate groups in trans positions and three water molecules, thus forming a fivefold coordination polyhedron that can be described as a distorted square pyramid. All atoms are located on general sites. The polyhedra are connected by bifunctional acetylenedicarboxylate ligands, to form almost linear chains parallel to [001]. Hydrogen bonds involving the non‐coordinated water molecule connect these chains to form a three‐dimensional framework. 相似文献
7.
Uwe Ruschewitz Ingo Pantenburg 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):m483-m484
In catena‐poly[[[triaquacadmium(II)]‐μ‐acetylenedicarboxylato‐κ4O,O′:O′′,O′′′] hydrate], {[Cd(C4O4)(H2O)3]·H2O}n, the CdII atom is coordinated by two bidentate carboxylate groups and three water molecules, thus forming a sevenfold coordination polyhedron with all atoms located on general sites. These polyhedra are connected by the bifunctional acetylenedicarboxylate ligands, forming zigzag chains running parallel to [120]. Hydrogen bonds, which involve the non‐coordinated water molecule, connect these chains to form a three‐dimensional framework. 相似文献
8.
Chun‐Bo Liu Guang‐Bo Che Chuan‐Bi Li Yun‐Cheng Cui 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):m153-m155
An in situ reaction under hydrothermal conditions leads to the formation of the title compound, diaqua(pyridine‐2‐carboxylato)(pyridine‐2,6‐dicarboxylato)indium(II) trihydrate, [In(C6H4NO2)(C7H3NO4)(H2O)2]·3H2O, in which the central InIII atom is seven‐coordinated by one pyridine‐2,6‐dicarboxylate ligand, one pyridine‐2‐carboxylate ligand and two water molecules in a pentagonal–bipyramidal coordination environment. An indium(III)–water chain based on an unusual water pentamer is observed. 相似文献
9.
R. Eric Banks Mohamed K. Besheesh Robin G. Pritchard 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):m141-m143
The structures of N‐fluoropyridinium trifluoromethanesulfonate, C5H5FN+·CF3O3S−, (I), and 1‐fluoro‐2,4,6‐trimethoxy‐1,3,5‐triazinium hexafluoroantimonate, (C6H9FN3O3)[SbF6], (II), are presented. The N—F bond lengths in (I), a well known electrophilic fluorinating agent, and its novel analogue, (II), are 1.357 (4) and 1.354 (4) Å, respectively. 相似文献
10.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e260-e261
In the title two adducts, C3H12N22+·2C9H6NO4?, (I), and C6H16N22+·2C9H6NO4?, (II), hydrogen bonds between the diammonium and carboxylate ions form a two‐dimensional network parallel to the ab plane in (I) and one‐dimensional chains along the c axis in (II). The cyclohexanediammonium ion in (II) has a crystallographic twofold axis. 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.
Arne Johansen Randi Midtkandal Heidi Roggen Carl Henrik Grbitz 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o198-o200
The valine side chains in the crystal structure of the title compound [systematic name: 2‐(2‐ammonio‐3‐methylbutanamido)‐3‐hydroxypropanoate trihydrate], C8H16N2O4·3H2O, stack along an a axis of 4.77 Å to form hydrophobic columns surrounded by remarkable water/hydroxyl shells. The peptide main chains are connected by hydrogen bonds in two‐dimensional layers. The peptide molecules in each layer are related only by translation, and generate a very rare pattern. This is rendered possible through the formation of the shortest Cα—H·O(carboxylate) interaction ever recorded. 相似文献
13.
Ponraj Prabakaran Jebamony Justin Robert Packianathan Thomas Muthiah Gabriele Bocelli Lara Righi 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):459-461
In the title cocrystal, trimethoprim maleate [2,4‐diamino‐5‐(3,4,5‐trimethoxybenzyl)pyrimidin‐1‐ium maleate], C14H19N4O3+·C4H3O4?, the trimethoprim molecule is protonated at N1. The carboxyl group of the maleate ion makes a specific double hydrogen bond of type N—H?O with the 2‐amino group and the protonated N1 atom of the trimethoprim cation which is similar to the carboxylate–trimethoprim cation interaction observed in the complex of dihydrofolate reductase with trimethoprim. The pyrimidine moieties of trimethoprim cations are centrosymmetrically paired through a pair of N—H?N hydrogen bonds involving the 4‐amino group and the pyridinium N3 atom of a symmetry‐related molecule. One of the O atoms at the maleate carboxylate group bridges the 2‐amino and 4‐amino groups on either side of the paired trimethoprim cations. The other O atom of the carboxylate group forms an intramolecular O—H?O hydrogen bond with the carboxyl group. These characteristic hydrogen bonds result in infinite two‐dimensional aggregation of rings into a supramolecular ladder, which is further crosslinked through weak C—H?O interactions with methoxy groups of neighbouring trimethoprim molecules to form a layered structure. 相似文献
14.
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
15.
Mathias O. Senge Kevin M. Smith 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o537-o541
The crystal and molecular structures of 4‐ethyl‐3,5‐dimethylpyrrole‐2‐carbaldehyde, C10H15NO, (I), benzyl 3,5‐dimethylpyrrole‐2‐carboxylate, C14H15NO2, (II), benzyl 4‐acetyl‐3,5‐dimethylpyrrole‐2‐carboxylate, C16H17NO3, (III), dimethyl 3,5‐dimethylpyrrole‐2,4‐dicarboxylate, C10H13NO4, (IV), 4‐ethyl‐3,5‐dimethyl‐2‐(p‐tosylacetyl)pyrrole, C17H21NO3S, (V), and ethyl 4‐(2‐ethoxycarbonyl‐2‐hydroxyacryloyl)‐3,5‐dimethylpyrrole‐2‐carboxylate, C15H19NO6, (VI), were determined at 130 K. Compounds (I), (II), (IV), (V) and (VI) form hydrogen‐bonded dimers [N—H⋯O=C = 1.97 (2)–2.03 (3) Å]. Four dimers, viz. (I) and (IV)–(VI), have inversion symmetry, while the dimer of (II) has twofold symmetry. Only (III) forms polymeric chains involving hydrogen bonds between the pyrrole H atom and the acetyl carbonyl group [H⋯O = 1.97 (2) Å] and is further stabilized by CH3⋯O interactions (C—H⋯O = 2.28–2.49 Å). Compound (VI) was found to occur as the enol ether in the crystal. 相似文献
16.
Nobuo Okabe Naomi Oya 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1416-1417
In the structure of the title compound, [Mn2(C7H3NO4)2(H2O)6]·2C7H5NO4, a centrosymmetric dinuclear complex, hexaaaquabis(pyridine‐2,6‐dicarboxylato)dimanganese(II) and free pyridine‐2,6‐dicarboxylic acid are present in a 1:2 ratio. In the complex, each Mn2+ ion is coordinated by three O atoms and one N atom from the pyridine‐2,6‐dicarboxylate ligands and by three water O atoms, resulting in a distorted pentagonal bipyramidal coordination. Within the centrosymmetric dinuclear complex, two Mn2+ ions are bridged by two carboxylate O atoms. The crystal structure is stabilized by hydrogen bonds involving all the H atoms of the water ligands. 相似文献
17.
Hong‐Tao Zhang Ting Shao Hua‐Qin Wang Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m259-m261
The asymmetric unit of the title compound, {[Ni(C12H6N2O4)(H2O)3]·H2O}n, is composed of a lattice water molecule and a nickel(II) ion that is coordinated by three water molecules and the two N atoms of a 2,2′‐bipyridine‐3,3′‐dicarboxylate ligand. The twist of the 2,2′‐bipyridine‐3,3′‐dicarboxylate unit and the coordination of one carboxylate group to a symmetry‐related NiII atom generate a helical chain that runs along the b axis. Intrahelical hydrogen bonds participate in controlling the orientation of the helices, and both right‐handed and left‐handed helices are connected by interhelical hydrogen bonds into two‐dimensional sheets. 相似文献
18.
Takashi Kajiwara Tasuku Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):22-23
The title octahedral complexes, [bis(pyridine‐2‐carbonyl)aminate]dichloro(methanol)iron(III), [Fe(C12H8N3O2)Cl2‐(CH4O)], and [bis(pyridine‐2‐carbonyl)aminate]dichloro‐(ethanol)iron(III), [Fe(C12H8N3O2)Cl2(C2H6O)], both crystallize in space group and have similar structures. Monoanionic bpca? [bis(pyridine‐2‐carbonyl)aminate] acts as a planar tridentate ligand in both cases. Coordination bond distances are in the range typical of high‐spin FeIII complexes. Carbon–oxygen distances are typical of a C=O double bond suggesting the negative charge of the bpca? ligand is localized on the central N atom. 相似文献
19.
Craig M. Forsyth Douglas R. MacFarlane Pamela M. Dean 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):m169-m170
The title compound, also known as sodium nicotinate, Na+·C6H4NO2−, consists of two unique Na atoms coordinated to two unique pyridine‐3‐carboxylate ligands through the N atoms and carboxylate groups. One Na atom and one pyridine‐3‐carboxylate ligand lie on a twofold axis. Extensive Na coordination results in a three‐dimensional array comprising infinite NaO2CR chains linked by intrachain Na—N bonds. 相似文献
20.
Qing‐Yan Liu Sheng‐Liang Zhong Yu‐Ling Wang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m395-m397
In the title compound, [In(C8H4O4)(OH)(H2O)]n, the coordination of the InIII ion is composed of six O atoms from three dianionic benzene‐1,2‐dicarboxylate ligands, two hydroxyl groups and one coordinated water molecule in a distorted octahedral geometry. The In3+ ions are linked by the hydroxyl groups to form zigzag In–OH–In chains, which are further bridged by the benzene‐1,2‐dicarboxylic acid ligands to generate a two‐dimensional layered structure featuring three types of rings (six‐, 14‐ and 20‐membered). Hydrogen bonds between the water molecule and a carboxylate O atom, and between the hydroxyl group and a carboxylate O atom, are observed within the layers. In the crystal packing, there are π–π stacking interactions between the benzene rings of adjacent layers, with a centroid‐to‐centroid distance of 3.668 (3) Å and a dihedral angle of 4.8 (2)°. 相似文献