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1.
Nalivela Venu Peddy Vishweshwar Thaimattam Ram Devarakonda Surya Bhattacharya Apurba 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(5):o306-o308
The title compound, C8H17NO2, exists as a zwitterion, adopting a propeller conformation. Molecules self‐assemble to form a hydrogen‐bonded layer parallel to the ab crystallographic plane connected by N+—H...O− and C—H...O− hydrogen bonds. These layers are stacked along the c axis and are stabilized by van der Waals interactions. 相似文献
2.
Wael S. I. Abou Elmagd 《Journal of heterocyclic chemistry》2011,48(6):1361-1365
3(2‐pyridinylmethylene)‐5‐aryl‐2(3H)‐furanones and 3(3‐pyridinylmethylene)‐5‐aryl‐2(3H)‐furanones were prepared as a mixture of (E) and (Z) stereoisomers by condensing pyridine‐2‐carboxaldehyde and pyridine‐3‐carboxaldehyde with 3‐aroylpropionic acids. The reaction of the furanones 6 and 7 with anhydrous aluminium chloride in benzene led to the formation of 4,4‐diaryl‐1‐(2‐pyridinyl)but‐1,3‐diene ( 8 ) and 4,4‐diaryl‐1‐(3‐pyridinyl)but‐1,3‐diene ( 9 ) as mixtures of geometrical (E,E‐ and E,Z‐) stereoisomers via an intermolecular alkylation mode. When the reaction was carried out in tetrachloroethane as a solvent, the reaction of 6 gave 5‐arylquinoline‐7‐carboxylic acid via intramolecular alkylation mode. This may be considered as a novel method for the synthesis of quinoline derivatives. J. Heterocyclic Chem., (2011). 相似文献
3.
Meng Wen Zu‐Ping Xiao Chun‐Ya Wang Xi‐He Huang 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(2):136-139
The title compound, {[Zn4(C8H4O4)3(OH)2(C12H6N2O2)2]·2H2O}n, has been prepared hydrothermally by the reaction of Zn(NO3)2·6H2O with benzene‐1,4‐dicarboxylic acid (H2bdc) and 1,10‐phenanthroline‐5,6‐dione (pdon) in H2O. In the crystal structure, a tetranuclear Zn4(OH)2 fragment is located on a crystallographic inversion centre which relates two subunits, each containing a [ZnN2O4] octahedron and a [ZnO4] tetrahedron bridged by a μ3‐OH group. The pdon ligand chelates to zinc through its two N atoms to form part of the [ZnN2O4] octahedron. The two crystallographically independent bdc2− ligands are fully deprotonated and adopt μ3‐κO:κO′:κO′′ and μ4‐κO:κO′:κO′′:κO′′′ coordination modes, bridging three or four ZnII cations, respectively, from two Zn4(OH)2 units. The Zn4(OH)2 fragment connects six neighbouring tetranuclear units through four μ3‐bdc2− and two μ4‐bdc2− ligands, forming a three‐dimensional framework with uninodal 6‐connected α‐Po topology, in which the tetranuclear Zn4(OH)2 units are considered as 6‐connected nodes and the bdc2− ligands act as linkers. The uncoordinated water molecules are located on opposite sides of the Zn4(OH)2 unit and are connected to it through hydrogen‐bonding interactions involving hydroxide and carboxylate groups. The structure is further stabilized by extensive π–π interactions between the pdon and μ4‐bdc2− ligands. 相似文献
4.
Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o78-o80
(Z)‐3‐(1H‐Indol‐3‐yl)‐2‐(3‐thienyl)acrylonitrile, C15H10N2S, (I), and (Z)‐3‐[1‐(4‐tert‐butylbenzyl)‐1H‐indol‐3‐yl]‐2‐(3‐thienyl)acrylonitrile, C26H24N2S, (II), were prepared by base‐catalyzed reactions of the corresponding indole‐3‐carboxaldehyde with thiophene‐3‐acetonitrile. 1H/13C NMR spectral data and X‐ray crystal structures of compounds (I) and (II) are presented. The olefinic bond connecting the indole and thiophene moieties has Z geometry in both cases, and the molecules crystallize in space groups P21/c and C2/c for (I) and (II), respectively. Slight thienyl ring‐flip disorder (ca 5.6%) was observed and modeled for (I). 相似文献
5.
Alexander J. Blake Naomi A. Harris Deborah L. Kays William Lewis Graeme J. Moxey 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(8):m204-m206
The solid‐state structure of the title compound, [Na2Mn2(C32H56N2OSi2)2O2] or [1,8‐C10H6(NSiiPr3)2Mn(μ3‐O)Na(THF)]2, which lies across a crystallographic twofold axis, exhibits a central [Mn2O2Na2]4+ core, with two oxide groups, each triply bridging between the two MnIII ions and an Na+ ion. Additional coordination is provided to each MnIII centre by a 1,8‐C10H6(NSiiPr3)2 [1,8‐bis(triisopropylsilylamido)naphthalene] ligand and to the Na+ centres by a tetrahydrofuran molecule. The presence of an additional Na...H—C agostic interaction potentially contributes to the distortion around the bridging oxide group. 相似文献
6.
Li‐Fang Jiang 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(12):m375-m378
In the two title copper(II) complexes, [CuL(C5H7O2)]n, (I), and [CuL′(C5H7O2)], (II), respectively, where HL is 4‐hydroxy‐3‐methoxybenzaldehyde picoloylhydrazone, C14H12N3O3, and HL′ is 4‐methoxybenzaldehyde picoloylhydrazone, C14H12N3O2, the CuII ions display a highly Jahn–Teller‐distorted octahedral and a square‐planar coordination geometry, respectively. In complex (I), two neighbouring CuII atoms are bridged by L− and acetylacetonate, alternately, giving rise to a one‐dimensional chain of CuN2O4 octahedra interconnected by these two ligands along the a axis. In addition, the hydroxy H atom of the vanillin group connects to the carboxyl O atom of the adjacent chain via an O—H...O hydrogen bond, giving rise to a three‐dimensional supramolecular assembly. Complex (II) displays a discrete structure. 相似文献
7.
Georgina M. Rosair Greig Scott Alan J. Welch 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(6):461-464
In the title compound, [Rh(C2H11B9)(NO3)(C18H15P)2]·2.2CH2Cl2, studied as a 2.2‐solvate of what was assumed to be dichloromethane, the nitrate ligand lies cis with respect to both cage C atoms. Accordingly, the compound displays a pronounced preferred exopolyhedral ligand orientation (ELO) which is traced to both the greater trans influence of the cage B over the cage C atoms and the greater trans influence of the triphenylphosphane ligands over the nitrate ligand. The overall molecular architecture therefore agrees with that of a number of similar 3‐L‐3,3‐L′2‐3,1,2‐closo‐MC2B9H11 species in the literature. 相似文献
8.
Guo‐Ming Wang Hai‐Lan Huang Hui Li Qing‐Hua Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m531-m533
The two isomorphous lanthanide coordination polymers, {[Ln2(C6H4NO2)2(C8H4O4)(OH)2(H2O)]·H2O}n (Ln = Er and Tm), contain two crystallographically independent Ln ions which are both eight‐coordinated by O atoms, but with quite different coordination environments. In both crystal structures, adjacent Ln atoms are bridged by μ3‐OH groups and carboxylate groups of isonicotinate and benzene‐1,2‐dicarboxylate ligands, forming infinite chains in which the Er...Er and Tm...Tm distances are in the ranges 3.622 (3)–3.894 (4) and 3.599 (7)–3.873 (1) Å, respectively. Adjacent chains are further connected through hydrogen bonds and π–π interactions into a three‐dimensional supramolecular framework. 相似文献
9.
Lucjan B. Jerzykiewicz Jzef Utko Piotr Sobota 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m501-m503
The molecule of the title compound, [Mn4Al(CH3)2(C3H7O2)4I5(C4H8O)], contains one AlIII and four MnII ions. Two Mn atoms are five‐coordinate in the form of a trigonal bipyramid or a square pyramid. The two other Mn atoms are six‐coordinate with an octahedral geometry. The fourcoordinate Al atom is linked to the manganese core by μ‐Oalkoxo bridges, forming an almost planar five‐membered ring. 相似文献
10.
Yuan‐Yuan Gu Yan‐Tuan Li Zhi‐Yong Wu Wei Sun Man Jiang 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(3):m115-m117
The title complex, bis[μ3‐cis‐N‐(2‐aminopropyl)‐N′‐(2‐carboxylatophenyl)oxamidato(3−)]‐1:2:4κ7N,N′,N′′,O:O′,O′′:O′′′;2:3:4κ7O′′′:N,N′,N′′,O:O′,O′′‐bis(2,2′‐bipyridine)‐2κ2N,N′;4κ2N,N′‐dichlorido‐1κCl,3κCl‐tetracopper(II) dihydrate, [Cu4(C12H12N3O4)2Cl2(C10H8N2)2]·2H2O, consists of a neutral cyclic tetracopper(II) system having an embedded centre of inversion and two solvent water molecules. The coordination of each CuII atom is square‐pyramidal. The separations of CuII atoms bridged by cis‐N‐(2‐aminopropyl)‐N′‐(2‐carboxylatophenyl)oxamidate(3−) and carboxyl groups are 5.2096 (4) and 5.1961 (5) Å, respectively. A three‐dimensional supramolecular structure involving hydrogen bonding and aromatic stacking is observed. 相似文献
11.
Manfredo Hrner Lorenzo do C. Visentin Marisa Dahmer Jairo Bordinhao 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m286-m287
In the title complex, [Pd(C12H8FN4O2)2(C5H5N)2] or trans‐[Pd(FC6H4N=N—NC6H4NO2)(C5H5N)2], the Pd atom lies on a centre of inversion in space group P. The coordination geometry about the Pd2+ ion is square planar, with two deprotonated 3‐(2‐fluorophenyl)‐1‐(4‐nitrophenyl)triazenide ions, FC6H4N=N—NC6H4NO2?, acting as monodentate ligands (two‐electron donors), while two neutral pyridine molecules complete the metal coordination sphere. The whole triazenide ligand is not planar, with the largest interplanar angle being 16.8 (5)° between the phenyl ring of the 2‐fluorophenyl group and the plane defined by the N=N—N moiety. The Pd—N(triazenide) and Pd—N(pyridine) distances are 2.021 (3) and 2.039 (3) Å, respectively. 相似文献
12.
G. Prochniak V. Videnova‐Adrabinska 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(8):m287-m290
This study presents the coordination modes and crystal organization of a calcium–potassium coordination polymer, poly[hexaaquabis(μ4‐4‐carboxybenzenesulfonato‐κ4O1:O1′:O1′′:O4)bis(μ3‐4‐carboxybenzenesulfonato‐κ2O1:O1′)calcium(II)dipotassium(I)], [CaK2(C7H5O5S)4(H2O)6]n, displaying a novel two‐dimensional framework. The potassium ion is seven‐coordinated by four sulfonate and one carboxyl O atom located on five different acid ligands, two of which are unique, and by two symmetry‐independent water O atoms. A pair of close potassium ions share two inversion‐related sulfonate O‐atom sites to form a dimeric K2O12 unit, which is extended into a one‐dimensional array along the a‐axis direction. The six‐coordinate Ca2+ ion occupies a special position () at (0, , ) and is surrounded by four sulfonate O atoms from two inversion‐related pairs of unique acid monoanions and by two O atoms from aqua ligands. The compound displays a layered structure, with K2O12 and CaO6 polyhedra in the layers and aromatic linkers between the layers. The three‐dimensional scaffold is open, with nano‐sized channels along the c axis. 相似文献
13.
Andreas Lemmerer David G. Billing 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):m174-m176
The title compound, {(C9H14N)4[Pb3I10]}n, crystallizes as an organic–inorganic hybrid. As such, the structure consists of a two‐dimensional inorganic layer of [Pb3I10]n4n− ions extending along [100]. The asymmetric unit contains two independent Pb atoms, viz. one in a general position and the other on an inversion centre. Each Pb atom is octahedrally coordinated by six iodide ions and exhibits both face‐ and corner‐sharing with adjacent atoms in the inorganic layer. These anionic layers alternate with 3‐phenylpropylammonium cations, which hydrogen bond to the iodides. Simple face‐to‐edge σ–π stacking interactions are observed between the aromatic rings that stabilize the overall three‐dimensional structure. This net structure has only been observed five times previously. 相似文献
14.
Xiao‐Wen Li Yan‐Tuan Li Zhi‐Yong Wu Fu‐Bin Jiang 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(8):m218-m221
The title complex, [Cu4(C11H10N3O4)2(C6H6N4S2)2](C6H2N3O7)2, consists of a circular tetracopper(II) cation with an embedded inversion centre and two uncoordinated picrate (2,4,6‐trinitrophenolate) anions. The CuII cations at the inner sites of N‐(2‐aminoethyl)‐N′‐(2‐carboxylatophenyl)oxamidate(3−) (oxbe) have square‐planar environments and those at the outer sites are in square‐pyramidal geometries. The separations of pairs of CuII cations bridged by cis‐oxamide and carboxylate groups are 5.2217 (5) and 5.2871 (5) Å, respectively. The tetracopper(II) cations and picrate anions are connected by N—H...O hydrogen bonds into a two‐dimensional network parallel to the (010) plane, and these two‐dimensional networks are assembled by two types of π–π stacking interactions into a three‐dimensional supramolecular structure. 相似文献
15.
Ziliang Wang Linheng Wei 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(12):m481-m484
The title two‐dimensional hydrogen‐bonded coordination compounds, [Cu(C8H5O4)2(C4H6N2)2], (I), and [Cu(C8H7O2)2(C4H6N2)2]·H2O, (II), have been synthesized and structurally characterized. The molecule of complex (I) lies across an inversion centre, and the Cu2+ ion is coordinated by two N atoms from two 4‐methyl‐1H‐imidazole (4‐MeIM) molecules and two O atoms from two 3‐carboxybenzoate (HBDC−) anions in a square‐planar geometry. Adjacent molecules are linked through intermolecular N—H...O and O—H...O hydrogen bonds into a two‐dimensional sheet with (4,4) topology. In the asymmetric part of the unit cell of (II) there are two symmetry‐independent molecules, in which each Cu2+ ion is also coordinated by two N atoms from two 4‐MeIM molecules and two O atoms from two 3‐methylbenzoate (3‐MeBC−) anions in a square‐planar coordination. Two neutral complex molecules are held together via N—H...O(carboxylate) hydrogen bonds to generate a dimeric pair, which is further linked via discrete water molecules into a two‐dimensional network with the Schläfli symbol (43)2(46,66,83). In both compounds, as well as the strong intermolecular hydrogen bonds, π–π interactions also stabilize the crystal stacking. 相似文献
16.
Zora Popovi Gordana Pavlovi
eljka Soldin Livio Racan Vesna Trali‐Kulenovi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):m4-m6
The title complex, [ZnCl2(C7H6N2S)2], contains a Zn centre with a distorted tetrahedral coordination sphere, involving two Cl− ligands and two endocyclic N atoms from the thiazole moiety [Zn—Cl = 2.2284 (7) and 2.2236 (7) Å, and Zn—N = 2.081 (2) and 2.041 (2) Å]. The interplanar angle between the two ligands is 79.32 (6)°. The amino groups participate in intermolecular N—H⋯Cl hydrogen bonds, with N⋯Cl distances in the range 3.463 (2)–3.519 (2) Å. 相似文献
17.
Elmira Ghabraie Morteza Bararjanian Saeed Balalaie Frank Rominger Hamid Reza Bijanzadeh 《Helvetica chimica acta》2011,94(8):1440-1447
The Michael‐type addition of a 4‐hydroxycoumarin (=4‐hydroxy‐2H‐1‐benzopyran‐2‐one) 1 to a β‐nitrostyrene (=(2‐nitroethenyl)benzene) 2 in the presence of AcONH4 leads to substituted (3E)‐3‐[amino(aryl)methylidene]chroman‐2,4‐diones (=(3E)‐3‐[amino(aryl)methylene]‐2H‐1‐benzopyran‐2,4(3H)‐diones) 4 (Table 1). High yields, short reaction time, and easy workup are advantages of this novel one‐pot three‐component reaction. 相似文献
18.
Kraig A. Wheeler Travis R. Helgren Thomas W. Clayton 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(3):306-311
The title bimolecular structure, [Cu4Cl6O(C4H8O)3(H2O)]2[Cu4Cl6O(C4H8O)4]·4C4H8O, at 100 K has monoclinic (P21/c) symmetry. The structure contains nine symmetry‐independent molecules expressed in simplest molecular form as 6[Cu4Cl6O(C4H8O)3(H2O)·2(C4H8O)]:3Cu4Cl6O(C4H8O)4. The compound exhibits a supercell (smaller than the unit cell based on weak reflections) structure due to pseudotranslational symmetry. The structure displays O—H...O hydrogen bonding between bound water ligands and tetrahydrofuran (THF) solvent molecules. The structure exhibits disorder for 12 of the THF molecules, of which seven are ligated to Cu and five are hydrogen bonded to H2O ligands. 相似文献
19.
20.
Onur ahin Orhan Büyükgüngr Dursun Ali Kse Hacali Necefoglu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m510-m512
The title compound, [Cu(C7H5O3)2(C6H6N2O)2(H2O)2], is a two‐dimensional hydrogen‐bonded supramolecular complex. The CuII ion resides on a centre of symmetry and is in an octahedral coordination environment comprising two pyridine N atoms, two carboxylate O atoms and two O atoms from water molecules. Intermolecular N—H...O and O—H...O hydrogen bonds produce R22(4), R22(8) and R22(15) rings which lead to one‐dimensional polymeric chains. An extensive two‐dimensional network of N—H...O and O—H...O hydrogen bonds and C—H...π interactions are responsible for crystal stabilization. 相似文献