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1.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m5-m7
In ferrocene‐1,1′‐diylbis(diphenylmethanol)–2,2′‐dipyridylamine (1/1), [Fe(C18H15O)2]·C10H9N3, (I), there is an intramolecular O—H?O hydrogen bond [H?O 2.03 Å, O?O 2.775 (2) Å and O—H?O 147°] in the ferrocenediol component, and the two neutral molecular components are linked by one O—H?N hydrogen bond [H?N 1.96 Å, O?N 2.755 (2) Å and O—H?N, 157°] and one N—H?O hydrogen bond [H?O 2.26 Å, N?O 3.112 (2) Å and N—H?O 164°] forming a cyclic R(8) motif. One of the pyridyl N atoms plays no part in the intermolecular hydrogen bonding, but participates in a short intramolecular C—H?N contact [H?N 2.31 Å, C?N 2.922 (2) Å and C—H?N 122°]. 相似文献
2.
Olga M. Nazarenko Julia A. Rusanova Harald Krautscheid Konstantin V. Domasevitch 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(10):m276-m279
The title compound, [Th(C12H15O4)4]n, is the first homoleptic thorium–carboxylate coordination polymer. It has a one‐dimensional structure supported by the bidentate bridging coordination of the singly charged 3‐carboxyadamantane‐1‐carboxylate (HADC−) anions. The metal ion is situated on a fourfold axis (site symmetry 4) and possesses a square‐antiprismatic ThO8 coordination, including four bonds to anionic carboxylate groups [Th—O = 2.359 (2) Å] and four to neutral carboxyl groups [Th—O = 2.426 (2) Å], while a strong hydrogen bond between these two kinds of O‐atom donor [O...O = 2.494 (3) Å] affords planar pseudo‐chelated Th{CO2...HO2C} cycles. This combination of coordination and hydrogen bonding is responsible for the generation of quadruple helical strands of HADC− ligands, which are wrapped around a linear chain of ThIV ions [Th...Th = 7.5240 (4) Å] defining the helical axis. 相似文献
3.
Lars
hrstrm Vratislav Langer Mohamed Ghazzali 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(8):m277-m279
In the title compound, [Fe(NCS)2(C12H10N4)(CH4O)2]n, at 153 (2) K, the Fe atom is located on an inversion centre, as is the centre of the N—N bond in the ligand molecule. The structure contains a one‐dimensional coordination polymer with an Fe...Fe distance of 15.866 (7) Å and can be described as two interpenetrating six‐connected primitive cubic (pcu) three‐dimensional networks when additional intermolecular O—H...S hydrogen bonds are taken into account. The compound is not isostructural with the corresponding MnII compound as they differ in the rotation around the M—O bond by 90°, giving rise to completely different hydrogen‐bond patterns. This study demonstrates the impact of conformational differences on the final supramolecular arrangement. 相似文献
4.
Zora Popovi Gordana Pavlovi Boris‐Marko Kukovec 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(5):m181-m183
The title compound, [Cu(C9H5N2O3)2(C2H6OS)2], consists of octahedrally coordinated CuII ions, with the 3‐oxo‐3,4‐dihydroquinoxaline‐2‐carboxylate ligands acting in a bidentate manner [Cu—O = 1.9116 (14) Å and Cu—N = 2.1191 (16) Å] and a dimethyl sulfoxide (DMSO) molecule coordinated axially via the O atom [Cu—O = 2.336 (5) and 2.418 (7) Å for the major and minor disorder components, respectively]. The whole DMSO molecule exhibits positional disorder [0.62 (1):0.38 (1)]. The octahedron around the CuII atom, which lies on an inversion centre, is elongated in the axial direction, exhibiting a Jahn–Teller effect. The ligand exhibits tautomerization by H‐atom transfer from the hydroxyl group at position 3 to the N atom at position 4 of the quinoxaline ring of the ligand. The complex molecules are linked through an intermolecular N—H...O hydrogen bond [N...O = 2.838 (2) Å] formed between the quinoxaline NH group and a carboxylate O atom, and by a weak intermolecular C—H...O hydrogen bond [3.392 (11) Å] formed between a carboxylate O atom and a methyl C atom of the DMSO ligand. There is a weak intramolecular C—H...O hydrogen bond [3.065 (3) Å] formed between a benzene CH group and a carboxylate O atom. 相似文献
5.
Jesús Castro Paulo Prez Lourido Antonio Sousa‐Pedrares Elena Labisbal Jos Piso Jos Arturo García‐Vzquez 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m319-m322
The crystal structure of the title compound, [CoCl2(C6H12N2S)2], consists of monomer units of a CoII atom coordinated to two 1‐propylimidazolidine‐2‐thione ligands and to two chloride ions. The heterocyclic thione ligand is monodentate and coordinated to the metal through the thione S atom. The environment around the CoII atom is a slightly distorted tetrahedron. The Co—S bond lengths are 2.341 (2) and 2.330 (2) Å, and the Co—Cl bond lengths are 2.234 (2) and 2.238 (2) Å. The most important point of distortion is the S—Co—S bond angle of only 97.83 (8)°. Intramolecular classical hydrogen bonds are found between the chloride ions and the N—H groups. Additionally, intra‐ and intermolecular non‐classical hydrogen bonds are found. 相似文献
6.
Md. Akhtaruzzaman Masaaki Tomura Yoshiro Yamashita 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):751-753
The title compound, C20H10N4S, and its dipyridinium salt, 4,4′‐(2,1,3‐benzodiazol‐4,7‐diyldiethynyl)dipyridinium diperchlorate, C20H12N4S2+·2ClO4?, display bond alternation in the 2,1,3‐benzothiadiazole rings, which suggests their quinonoid character. The dipyridinium dication molecules stack along the a axis and form a dimer with short S?N interheteroatom contacts [3.146 (4) Å] between the two 1,2,5‐thiadiazole rings. The dimer is surrounded by the perchlorate anions with which it forms a large number of intermolecular N—H?O and C—H?O hydrogen bonds. 相似文献
7.
Fabrizio Adani Enzo Montoneri Philip J. Squattrito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):463-464
The title compound, C7H8FO6PS·H2O, contains both phosphonic and sulfonic acid functionalities. An extensive network of O—H?O hydrogen bonds is present in the crystal structure. The three acidic protons are associated with the phosphonate group. Two protons experience typical hydrogen‐bond contacts with the sulfonate‐O atoms, while the third has a longer covalent bond of 1.05 (3) Å to the phosphonate‐O atom and a short hydrogen‐bond contact of 1.38 (3) Å to the water O atom (all O—H?O angles are in the range 162–175°). The sulfonate group is positioned so that one S—O bond is nearly coplanar with the phenyl ring [torsion angle O—S—C—C ?8.6 (2)°]. The phosphonate group is oriented approximately perpendicular to the ring [torsion angle P—C—C—C 99.2 (2)°] with one P—O bond anti to the benzyl C—C bond. The molecules pack in layers in the b–c plane with the water molecules in between adjacent pairs of inverted layers. 相似文献
8.
Ilona Raspertova Roman Doroschuk Dmytro Khomenko Rostislav Lampeka 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(3):m61-m63
The structure of the title compound, [U(C14H9N3O2)O2(CH3OH)2]·CH3OH, is the first to be reported for an actinide complex including triazole ligands. The UVI atom exhibits a pentagonal–bipyramidal NO6 coordination environment, involving two axial oxide ligands [U=O = 1.766 (3) and 1.789 (3) Å], four equatorial O atoms [U—O = 2.269 (3)–2.448 (3) Å] from the ligand and the two coordinated methanol molecules, and one equatorial N atom [U—N = 2.513 (4) Å] from the ligand. In the crystal structure, the complex molecules are linked via intermolecular N—H...O and O—H...O hydrogen bonds to form a two‐dimensional structure. 相似文献
9.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o120-o124
Molecules of 2‐(2‐nitrophenylaminocarbonyl)benzoic acid, C14H10N2O5, are linked into centrosymmetric R(8) dimers by a single O—H⋯O hydrogen bond [H⋯O = 1.78 Å, O⋯O = 2.623 (2) Å and O—H⋯O = 178°] and these dimers are linked into sheets by a single aromatic π–π stacking interaction. The isomeric compound 2‐(4‐nitrophenylaminocarbonyl)benzoic acid crystallizes in two polymorphic forms. In the orthorhombic form (space group P212121 with Z′ = 1, crystallized from ethanol), the molecules are linked into sheets of R(22) rings by a combination of one N—H⋯O hydrogen bond [H⋯O = 1.96 Å, N⋯O = 2.833 (3) Å and N—H⋯O = 171°] and one O—H⋯O hydrogen bond [H⋯O = 1.78 Å, O⋯O = 2.614 (3) Å and O—H⋯O = 173°]. In the monoclinic form (space group P21/n with Z′ = 2, crystallized from acetone), the molecules are linked by a combination of two N—H⋯O hydrogen bonds [H⋯O = 2.09 and 2.16 Å, N⋯O = 2.873 (4) and 2.902 (3) Å, and N—H⋯O = 147 and 141°] and two O—H⋯O hydrogen bonds [H⋯O = 1.84 and 1.83 Å, O⋯O = 2.664 (3) and 2.666 (3) Å, and O—H⋯O = 166 and 174°] into sheets of some complexity. These sheets are linked into a three‐dimensional framework by a single C—H⋯O hydrogen bond [H⋯O = 2.45 Å, C⋯O = 3.355 (4) Å and C—H⋯O = 160°]. 相似文献
10.
John H. Aupers George Ferguson Christopher Glidewell John N. Low James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):945-947
Molecules of the title compound, [PdCl(C6H4NO2S)(PPh3)2]·C3H6O, exhibit a slight distortion from exact planarity at the Pd atom towards tetrahedral, with P—Pd—P and Cl—Pd—S angles of 174.98 (3) and 174.19 (3)°, respectively. The Pd—Cl and Pd—S bonds are, respectively, long [2.3550 (11) Å] and short [2.3020 (12) Å] for their types; the S—C bond is also very short [1.744 (4) Å]. The solvating acetone molecule is linked to one of the phosphine ligands by means of a C—H?O hydrogen bond. 相似文献
11.
Boris‐Marko Kukovec Zora Popovi Gordana Pavlovi 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(12):m615-m617
The title compound, [Co(C7H6NO2)2(H2O)4]·4H2O, contains a CoII ion lying on a crystallographic inversion centre. The CoII ion is octahedrally coordinated by two 6‐methylpyridine‐3‐carboxylate ligands in axial positions [Co—O = 2.0621 (9) Å] and by four water molecules in the equatorial plane [Co—O = 2.1169 (9) and 2.1223 (11) Å]. There are also four uncoordinated water molecules. The 6‐methylpyridine‐3‐carboxylate ligands are bound to the CoII ion in a monodentate manner through a carboxylate O atom. There is one strong intramolecular O—H...O hydrogen bond, and six strong intermolecular hydrogen bonds of type O—H...O and one of type O—H...N in the packing, resulting in a complex three‐dimensional supramolecular structure. 相似文献
12.
Cem Cüneyt Ersanl igdem Albayrak Mustafa Odabaoglu Ahmet Erdnmez 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o601-o602
The title compound, C13H10N2O4, adopts the keto–amine tautomeric form and displays an intramolecular N—H⋯O [N⋯O = 2.579 (2) Å] and three intermolecular O—H⋯O [O⋯O = 2.561 (2) Å] and C—H⋯O [C⋯O = 3.274 (2) and 3.318 (2) Å] hydrogen bonds. The keto–amine structure is favoured by through‐molecule conjugation between the hydroxy O atom and imine N atom. The dihedral angle between the planes of the two aromatic rings is 10.79 (4)°. 相似文献
13.
Ivan V. Korendovych Elena V. Rybak‐Akimova 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m82-m84
The crystal structure of the title compound, [MnCl(C28H22N2O2)(C2H6O)], has been determined at 173 (2) K in the non‐centrosymmetric space group P212121. The asymmetric unit contains two molecular units. An intermolecular O—H⋯Cl hydrogen bond is formed between the OH group of an ethanol molecule coordinated to the Mn atom and the coordinated Cl− anion, and so polymeric chains of Mn‐containing fragments are formed [O—H⋯Cl = 3.1281 (16) and 3.1282 (15) Å]. The Mn atoms have a pseudo‐octahedral coordination sphere, with the four donor atoms of the Schiff base forming an equatorial plane [Mn—O distances are 1.8740 (13), 1.8717 (13), 1.8749 (13) and 1.8823 (13) Å, and Mn—N distances are 1.9868 (15), 1.9910 (14), 1.9828 (15) and 1.9979 (14) Å]. The axial positions are occupied by an ethanol molecule [Mn—O distances of 2.3069 (15) and 2.3130 (15) Å] and a Cl− ligand [Mn—Cl distances of 2.5732 (6) and 2.5509 (6) Å]. 相似文献
14.
Susim Maiti Monika Mukherjee Bidisha Nandi Madeleine Helliwell Nitya G. Kundu 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):992-994
The title compound, C26H21NO2S2, which consists of a benzothiazole skeleton with α‐naphthylvinyl and tosyl groups at positions 2 and 3, respectively, was prepared by palladium–copper‐catalyzed heteroannulation. The E configuration of the molecule about the vinyl C=C bond is established by the benzothiazole–naphthyl C—C—C—C torsion angle of 177.5 (4)°. The five‐membered heterocyclic ring adopts an envelope conformation with the Csp3 atom 0.380 (6) Å from the C2NS plane. The two S—C [1.751 (4) and 1.838 (4) Å] and two N—C [1.426 (5) and 1.482 (5) Å] bond lengths in the thiazole ring differ significantly. 相似文献
15.
Yuan‐Zhen Ke Leng‐Feng Zheng Jian‐Hai Luo Xi‐He Huang Chang‐Cang Huang 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):m343-m345
The title complex, [Co(C15H12N3O2S)2], consists of an octahedrally coordinated CoII ion, with two crystallographically independent 1,4‐dibenzoylthiosemicarbazidate ligands in a tridentate mer coordination [Co—O = 2.064 (3)–2.132 (3) Å and Co—N = 2.037 (3)–2.043 (3) Å]. There are intermolecular N—H...S hydrogen bonds involving one ligand and strong π–π stacking interactions involving the other ligand, resulting in a three‐dimensional supramolecular framework. The hydrogen bonds and π–π interactions, as well as different intramolecular aryl–benzamide H—C...H(—N) distances, give rise to a difference in conformation between the two ligands. 相似文献
16.
Alan J. Lough Richard M. Gregson George Ferguson Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):859-861
The title compound is a salt, [C12H32N6]2+·2[HOC6H4C6H4O]?. The centrosymmetric cation contains two intramolecular N—H?N hydrogen bonds with an N?N distance of 2.8290 (13) Å, and the pendent amino groups are in axial sites; the anion contains an intramolecular O—H?O hydrogen bond with an O?O distance of 2.4656 (11) Å. The ions are linked into continuous chains by means of four types of N—H?O hydrogen bonds with N?O distances ranging from 2.7238 (12) Å to 3.3091 (13) Å, associated with N—H?O angles in the range 148–160°. 相似文献
17.
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
18.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o95-o97
Molecules of the title compound, C12H9IN2O2S, are linked by one N—H⃛O hydrogen bond [H⃛O = 2.16 Å, N⃛O = 2.935 (4) Å and N—H⃛O 147°] and two C—H⃛O hydrogen bonds [H⃛O both 2.49 Å, C⃛O = 3.231 (5) and 3.220 (5) Å, and C—H⃛O = 135 and 134°] into sheets which themselves are weakly linked by an aromatic π–π‐stacking interaction between iodinated rings in centrosymmetrically related molecules. There are no iodo–nitro interactions. 相似文献
19.
Ivan Leban Lovro Seli
Toma Mesar Anton opar Tom olmajer 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o367-o369
The molecular structure of the title tricyclic compound, C17H21NO4, which is the immediate precursor of a potent synthetic inhibitor {Lek157: sodium (8S,9R)‐10‐[(E)‐ethylidene]‐4‐methoxy‐11‐oxo‐1‐azatricyclo[7.2.0.03,8]undec‐2‐ene‐2‐carboxylate} with remarkable potency, provides experimental evidence for the previously modelled relative position of the fused cyclohexyl ring and the carbonyl group of the β‐lactam ring, which takes part in the formation of the initial tetrahedral acyl–enzyme complex. In this hydrophobic molecule, the overall geometry is influenced by C—H?O intramolecular hydrogen bonds [3.046 (4) and 3.538 (6) Å, with corresponding normalized H?O distances of 2.30 and 2.46 Å], whereas the molecules are interconnected through intermolecular C—H?O hydrogen bonds [3.335 (4)–3.575 (5) Å]. 相似文献
20.
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