共查询到20条相似文献,搜索用时 46 毫秒
1.
Bernardo Masci Stefano Levi Mortera Luca Seralessandri Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o107-o109
Two related compounds containing p‐tert‐butyl‐o‐methylene‐linked phenol or phenol‐derived subunits are described, namely 5,5′‐di‐tert‐butyl‐2,2′‐dihydroxy‐3,3′‐methylenedibenzaldehyde, C23H28O4, (I), and 6,6′‐di‐tert‐butyl‐8,8′‐methylenebis(spiro[4H‐1,3‐benzodioxin‐2,1′‐cyclohexane]), C35H48O4, (II). Both compounds adopt a `butterfly' shape, with the two phenol or phenol‐derived O atoms in distal positions. Phenol and aldehyde groups in (I) are involved in intramolecular hydrogen bonds and the two dioxin rings in (II) are in distorted half‐chair conformations. 相似文献
2.
Vijay Mahadevan Iyer Helen Stoeckli‐Evans Anthony D'Alo Luisa De Cola Peter Belser 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o259-o261
Structure analyses of 4,4′‐bis(4‐hydroxybutyl)‐2,2′‐bipyridine, C18H24N2O2, (I), and 4,4′‐bis(4‐bromobutyl)‐2,2′‐bipyridine, C18H22Br2N2, (II), reveal intermolecular hydrogen bonding in both compounds. For (I), O—H·N intermolecular hydrogen bonding leads to the formation of an infinite two‐dimensional polymer, and π stacking interactions are also observed. For (II), C—H·N intermolecular hydrogen bonding leads to the formation of a zigzag polymer. The two compounds crystallize in different crystal systems, but both molecules possess Ci symmetry, with one half molecule in the asymmetric unit. 相似文献
3.
Peter D.W. Boyd Paul M. Johns Clifton E.F. Rickard 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m590-m593
The title compounds, [CuFe2(C5H5)2(C9H8O2)2], (I), and [CuFe4(C5H5)4(C13H9O2)2], (II), are four‐coordinate square‐planar copper(II) complexes with two bidentate 1‐ferrocenylbutane‐1,3‐dionate or 1,3‐diferrocenylpropane‐1,3‐dionate ligands, respectively. The copper ion in (I) lies on an inversion centre, with one‐half of the molecule in the asymmetric unit, while in (II), there are two independent half molecules in the asymmetric unit, with the copper ions also situated on inversion centres. The ferrocene substituents in (I) are in an anti arrangement. The molecules assemble in the crystal structure in layers with ferrocene groups at the surface. The pairs of ferrocene substituents on each ligand in complex (II) are syn and these adopt an anti arrangement with respect to the pair on the other diketonate ligand. As found in (I), complexes assemble in a layered structure with ferrocene‐coated surfaces. 相似文献
4.
Boris Shivachev Rosica Petrova Petja Marinova Neyko Stoyanov Anife Ahmedova Mariana Mitewa 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o211-o215
The crystal structures of four cycloalkanespiro‐4′‐imidazolidine‐2′,5′‐dithiones, namely cyclopentanespiro‐4′‐imidazolidine‐2′,5′‐dithione {systematic name: 1,3‐diazaspiro[4.4]nonane‐2,4‐dithione}, C7H10N2S2, cyclohexanespiro‐4′‐imidazolidine‐2′,5′‐dithione {systematic name: 1,3‐diazaspiro[4.5]decane‐2,4‐dithione}, C8H12N2S2, cycloheptanespiro‐4′‐imidazolidine‐2′,5′‐dithione {systematic name: 1,3‐diazaspiro[4.6]undecane‐2,4‐dithione}, C9H14N2S2, and cyclooctanespiro‐4′‐imidazolidine‐2′,5′‐dithione {systematic name: 1,3‐diazaspiro[4.7]dodecane‐2,4‐dithione}, C10H16N2S2, have been determined. The three‐dimensional packing in all of the structures is based on closely similar chains, in which hydantoin moieties are linked through N—H⋯S hydrogen bonding. The size of the cycloalkane moiety influences the degree of its deformation. In the cyclooctane compound, the cyclooctane ring assumes both boat–chair and boat–boat conformations. 相似文献
5.
Katarzyna
lepokura Tadeusz Lis Magorzata Bogucka Joanna Lutomska Adam Kraszewski Krzysztof Sierosawski 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o405-o409
The crystal structures of triethylammonium adenosine cyclic 2′,3′‐phosphate {systematic name: triethylammonium 4‐(6‐aminopurin‐9‐yl)‐6‐hydroxymethyl‐2‐oxido‐2‐oxoperhydrofurano[3,4‐c][1,3,2]dioxaphosphole}, Et3NH(2′,3′‐cAMP) or C6H16N+·C10H11N5O6P−, (I), and guanosine cyclic 2′,3′‐phosphate monohydrate {systematic name: triethylammonium 6‐hydroxymethyl‐2‐oxido‐2‐oxo‐4‐(6‐oxo‐1,6‐dihydropurin‐9‐yl)perhydrofurano[3,4‐c][1,3,2]dioxaphosphole monohydrate}, [Et3NH(2′,3′‐cGMP)]·H2O or C6H16N+·C10H11N5O7P−·H2O, (II), reveal different nucleobase orientations, viz. anti in (I) and syn in (II). These are stabilized by different inter‐ and intramolecular hydrogen bonds. The structures also exhibit different ribose ring puckering [4E in (I) and 3T2 in (II)] and slightly different 1,3,2‐dioxaphospholane ring conformations, viz. envelope in (I) and puckered in (II). Infinite ribbons of 2′,3′‐cAMP− and helical chains of 2′,3′‐cGMP− ions, both formed by O—H⋯O, N—H⋯X and C—H⋯X (X = O or N) hydrogen‐bond contacts, characterize (I) and (II), respectively. 相似文献
6.
Zun‐Ting Zhang Xin‐Li Cheng Yun He 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m484-m487
In methylaminium 4′,7‐dihydroxyisoflavone‐3′‐sulfonate dihydrate, CH6N+·C15H9O7S−·2H2O, 11 hydrogen bonds exist between the methylaminium cations, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. In hexaaquairon(II) bis(4′,7‐diethoxyisoflavone‐3′‐sulfonate) tetrahydrate, [Fe(H2O)6](C19H17O7S)2·4H2O, 12 hydrogen bonds exist between the centrosymmetric [Fe(H2O)6]2+ cation, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. Additional π–π stacking interactions generate three‐dimensional supramolecular structures in both compounds. 相似文献
7.
S. Thinagar D. Velmurugan S. Shanmuga Sundara Raj Hoong‐Kun Fun S. C. Gupta H. Merazig S. Bouacida 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o181-o183
The title compound 3,3′‐[o‐phenylenebis(methyleneoxy)]bis(6‐chloroflavone), C38H24Cl2O6, (I), crystallizes in the monoclinic space group C2/c, with the molecules lying across twofold rotation axes so that there is half a molecule in the asymmetric unit, while the other title compound, 3,3′‐propylenedioxybis[6‐chloro‐2‐(2‐furyl)‐4H‐1‐benzopyran‐4‐one], C29H18Cl2O8, (II), crystallizes in monoclinic space group P21/n with one molecule in the asymmetric unit. In both compounds, the benzopyran moiety is nearly planar, with dihedral angles between the two fused rings of 1.43 (8)° in (I), and 2.54 (7) and 3.00 (6)° with respect to the benzopyran moieties in the two halves of (II). The furan rings are twisted by 8.3 (1) and 8.4 (1)° in the two halves of (II). In both compounds, the molecular structure is stabilized by intramolecular C—H⃛O hydrogen bonds, while the crystal packing is stabilized by C—H⃛Cl and C—H⃛O intermolecular hydrogen bonds in (I) and (II), respectively. 相似文献
8.
W. Mark Barnett Russell G. Baughman Paula M. Secondo Charles J. Hermansen 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o565-o567
The crystal structures of the title compounds, alternatively called 2,2′‐(2,2′‐biimidazole‐1,1′‐diyl)diacetohydrazide monohydrate, C10H14N8O2·H2O, (I), and 3,3′‐(2,2′‐biimidazole‐1,1′‐diyl)dipropionohydrazide, C12H18N8O2, (II), respectively, have been determined. The molecules consist of half‐molecule asymmetric units related by a twofold rotation in (I) and by a center of inversion in (II). The imidazole rings of both molecules crystallize in a nearly coplanar fashion [dihedral angles of 5.91 (3) and 0.0 (1)° for (I) and (II), respectively]. Both planar hydrazinocarbonylalkyl substituents are essentially planar and assume the E orientation. 相似文献
9.
R. Malathi S. S. Rajan Geetha Gopalakrishnan G. Suresh 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o681-o682
The title compound, methyl (2aS,3R,5R,5aS,6S,6aS,8R,9aS,10aR,10bR,10cS)‐8‐(3‐furyl)‐2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c‐dodecahydro‐3‐hydroxy‐2a,5a,6a,7‐tetramethyl‐5‐(3‐methylbut‐2‐enoyloxy)‐2H,3H‐cyclopenta[4′,5′]furo[2′,3′:6,5]benzo[cd]isobenzofuran‐6‐acetate, C32H42O8, was isolated from uncrushed green leaves of Azadirachta indica A. Juss (neem) and has been found to possess antifeedant activity against Spodptera litura. The conformations of the functional groups are similar to those of 3‐desacetylsalannin, which was isolated from neem kernels. The molecules are linked into chains by intermolecular O—H?O hydrogen bonds. 相似文献
10.
Peter G. Jones Aleksander Zemanek Piotr Ku 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):o73-o76
In 2′,5′‐dimethyl‐p‐terphenyl, C20H18, which displays pseudosymmetry (the true space group is Pna21, but less satisfactory refinement can also be achieved in Pbcn), the molecules are linked into chains by two short C—H⋯π interactions to the centroid of the central ring. In 2′,5′‐bis(bromomethyl)‐p‐terphenyl, C20H16Br2, the polar CH2Br groups cause molecules to aggregate via C—H⋯Br and Br⋯Br interactions, forming a layer structure, in which the phenyl rings project outwards from the central, more polar, region. 相似文献
11.
Canan Kazak Veysel T. Yilmaz Suleyman Servi Murat Koca Frank W. Heinemann 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o348-o350
The title compounds, 1,3‐dibenzoylimidazolidine‐2‐thione, C17H14N2O2S, (I), and 1,3‐dibenzoyl‐3,4,5,6‐tetrahydropyrimidine‐2(1H)‐thione, C18H16N2O2S, (II), were obtained from the reactions of imidazolidine‐2‐thione and 1,4,5,6‐tetrahydropyrimidine‐2‐thiol, respectively, with benzoyl chloride. Compounds (I) and (II) contain, respectively, imidazolidinethione [C=S = 1.6509 (14) Å] and pyrimidinethione [C=S = 1.6918 (19) Å] moieties bonded to two benzoyl rings. The molecules of (I) exhibit C2 symmetry, the C=S bond lying along the twofold rotation axis, while the molecules of (II) have mirror symmetry (Cs). The imidazolidine ring in (I) is essentially planar, while the pyrimidine ring in (II) adopts a boat conformation. Molecules of (I) are linked by weak intermolecular C—H⋯O interactions, while molecules of (II) are held together by van der Waals interactions. 相似文献
12.
Oleg Stenzel Matthias W. Esterhuysen Helgard G. Raubenheimer 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1056-1059
The crystal and molecular structures of bis(η5‐2,4,7‐trimethylindenyl)cobalt(II), [Co(C12H13)2], (I), and rac‐2,2′,4,4′,7,7′‐hexamethyl‐1,1′‐biindene, C24H26, (II), are reported. In the crystal structure of (I), the Co atom lies on an inversion centre and the structure represents the first example of a bis(indenyl)cobalt complex exhibiting an eclipsed indenyl conformation. The (1R,1′R) and (1S,1′S) enantiomers of the three possible stereoisomers of (II), which form as by‐products in the synthesis of (I), cocrystallize in the monoclinic space group P21/c. In the unit cell of (II), alternating (1R,1′R) and (1S,1′S) enantiomers pack in non‐bonded rows along the a axis, with the planes of the indenyl groups parallel to each other and separated by 3.62 and 3.69 Å. 相似文献
13.
Zheng‐Liang Lü Zhi‐Liang Liu De‐Qing Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m147-m150
In the two isomorphous title compounds, viz. tris[2,2′‐bi(4,5‐dihydro‐1,3‐oxazole)‐κ2N,N′]copper(II) diperchlorate, [Cu(C6H8N2O2)3](ClO4)2, (I), and tris[2,2′‐bi(4,5‐dihydro‐1,3‐oxazole)‐κ2N,N′]nickel(II) diperchlorate, [Ni(C6H8N2O2)3](ClO4)2, (II), the MII ions each have a distorted octahedral coordination geometry formed via six N atoms from three 2,2′‐bioxazoline ligands. For each ligand, the two five‐membered rings are nearly coplanar. It is noteworthy that the Jahn–Teller effect is stronger in (I) than in (II). The three‐dimensional supramolecular structures of (I) and (II) are formed via weak hydrogen‐bonding interactions between O atoms from perchlorate anions and H atoms from 2,2′‐bioxazoline ligands. 相似文献
14.
I. I. Ponomarev A. Yu. Kovalevsky 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):260-262
Each of the three title compounds, namely 6,6′‐methylenebis(2‐methyl‐4H‐3,1‐benzoxazin‐4‐one), C19H14N2O4, 6,6′‐methylenebis(2‐trifluoromethyl‐4H‐3,1‐benzoxazin‐4‐one), C19H8F3N2O4, and 6,6′‐bi(2‐trifluoromethyl‐4H‐3,1‐benzoxazin‐4‐one), C18H6F6N2O4, contains two planar benzoxazinone fragments. In the first two compounds, these planes are virtually perpendicular to each other, while the third compound is planar overall. The electronic effects of the substituent groups on the oxazine moiety result in distortion of the bond angles at the C atoms of the C=O and C=N bonds, and in redistribution of electronic density in the oxazine rings. The latter leads to different bond lengths within this ring in the three molecules. All the molecules form stacks in their crystals with distances of 3.2–3.6 Å between adjacent molecules in a stack. 相似文献
15.
Hyun‐Chul Kim Ja‐Min Gu Seong Huh Chul‐Hyun Yo Youngmee Kim 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(10):929-935
Two new one‐dimensional CuII coordination polymers (CPs) containing the C2h‐symmetric terphenyl‐based dicarboxylate linker 1,1′:4′,1′′‐terphenyl‐3,3′‐dicarboxylate (3,3′‐TPDC), namely catena‐poly[[bis(dimethylamine‐κN)copper(II)]‐μ‐1,1′:4′,1′′‐terphenyl‐3,3′‐dicarboxylato‐κ4O,O′:O′′:O′′′] monohydrate], {[Cu(C20H12O4)(C2H7N)2]·H2O}n, (I), and catena‐poly[[aquabis(dimethylamine‐κN)copper(II)]‐μ‐1,1′:4′,1′′‐terphenyl‐3,3′‐dicarboxylato‐κ2O3:O3′] monohydrate], {[Cu(C20H12O4)(C2H7N)2(H2O)]·H2O}n, (II), were both obtained from two different methods of preparation: one reaction was performed in the presence of 1,4‐diazabicyclo[2.2.2]octane (DABCO) as a potential pillar ligand and the other was carried out in the absence of the DABCO pillar. Both reactions afforded crystals of different colours, i.e. violet plates for (I) and blue needles for (II), both of which were analysed by X‐ray crystallography. The 3,3′‐TPDC bridging ligands coordinate the CuII ions in asymmetric chelating modes in (I) and in monodenate binding modes in (II), forming one‐dimensional chains in each case. Both coordination polymers contain two coordinated dimethylamine ligands in mutually trans positions, and there is an additional aqua ligand in (II). The solvent water molecules are involved in hydrogen bonds between the one‐dimensional coordination polymer chains, forming a two‐dimensional network in (I) and a three‐dimensional network in (II). 相似文献
16.
Susanne Stockmann Jocelyn Bruce Jorn Miller Klaus R. Koch 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):o166-o170
In the structures of 3,3,3′,3′‐tetraethyl‐1,1′‐(propane‐1,3‐diyldicarbonyl)bis(thiourea), C15H28N4O2S2, (I), 3,3,3′,3′‐tetraethyl‐1,1′‐(butane‐1,4‐diyldicarbonyl)bis(thiourea), C16H30N4O2S2, (II), and 3,3,3′,3′‐tetrabutyl‐1,1′‐(hexane‐1,6‐diyldicarbonyl)bis(thiourea), C26H50N4O2S2, (III), compound (I) displays resonance‐assisted hydrogen bonding, (II) exhibits an inversion centre, and both (II) and (III) are characterized by intermolecular hydrogen bonds between the carbonyl O atoms and thioamide H atoms, leading to chains of hydrogen‐bonded molecules throughout the structures. The accurate structural data for these molecules is expected to assist in molecular modelling and other studies currently in progress. 相似文献
17.
Vladimir N. Nesterov Elena A. Viltchinskaia 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):616-618
The structures of the title compounds, C15H13N3O4, (I), and C16H15N3O5 [IUPAC name: ethyl 6‐amino‐5‐cyano‐2‐methyl‐4‐(3‐nitrophenyl)‐4H‐pyrano‐3‐carboxylate], (II), are very similar, with the heterocyclic rings adopting boat conformations. The pseudo‐axial m‐nitrophenyl substituents are rotated by 84.0 (1) and 98.7 (1)° in (I) and (II), respectively, with respect to the four coplanar atoms of the boat. The dihedral angles between the phenyl rings and nitro groups are 12.1 (2) and 8.4 (2)° in (I) and (II), respectively. The two compounds have similar patterns of intermolecular N—H?O and N—H?N hydrogen bonding, which link molecules into infinite tapes along b . 相似文献
18.
Botjan Genorio Joe Kobe Gerald Giester Ivan Leban 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(4):o221-o224
The two title ethoxycarbonylmethoxy derivatives of calix[4]arene, namely diethyl 2,4‐dihydroxycalix[4]arene‐1,3‐diyldi(oxyacetate), C36H36O8, (I), and tetraethyl calix[4]arene‐1,2,3,4‐tetrayltetra(oxyacetate), C44H48O12, (II), form two different conformations, viz. a cone in (I), where intramolecular hydrogen bonds are formed through OH groups in a partially substituted calix[4]arene, and a 1,3‐alternate form of a completely substituted calix[4]arene in (II). A unique three‐dimensional array of molecules exists in (II), with the channels extended along the entire crystal. 相似文献
19.
Volodimir D. Vreshch Andrey B. Lysenko Harald Krautscheid Konstantin V. Domasevitch 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m443-m447
In bis[1‐(3‐pyridyl)butane‐1,3‐dionato]copper(II) (the Cu atom occupies a centre of inversion), [Cu(C9H8NO2)2], (I), and bis[1‐(4‐pyridyl)butane‐1,3‐dionato]copper(II) methanol solvate, [Cu(C9H8NO2)2]·CH3OH, (II), the O,O′‐chelating diketonate ligands support square‐planar coordination of the metal ions [Cu—O = 1.948 (1)–1.965 (1) Å]. Weaker Cu⋯N interactions [2.405 (2)–2.499 (2) Å], at both axial sides, occur between symmetry‐related bis(1‐pyridylbutane‐1,3‐dionato)copper(II) molecules. This causes their self‐organization into two‐dimensional square‐grid frameworks, with uniform [6.48 Å for (I)] or alternating [4.72 and 6.66 Å for (II)] interlayer separations. Guest methanol molecules in (II) reside between the distal layers and form weak hydrogen bonds to coordinated O atoms [O⋯O = 3.018 (4) Å]. 相似文献
20.
Eric P. Kelson Proma P. Phengsy Atta M. Arif 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):517-519
The aldehyde moiety in the title complex, chloro(2‐pyridinecarboxaldehyde‐N,O)(2,2′:6′,2′′‐terpyridine‐κ3N)ruthenium(II)–chloro(2‐pyridinecarboxylic acid‐N,O)(2,2′:6′,2′′‐terpyridine‐κ3N)ruthenium(II)–perchlorate–chloroform–water (1.8/0.2/2/1/1), [RuCl(C6H5NO)(C15H11N3)]1.8[RuCl(C6H5NO2)(C15H11N3)]0.2(ClO4)2·CHCl3·H2O, is a structural model of substrate coordination to a transfer hydrogenation catalyst. The title complex features two independent RuII complex cations that display very similar distorted octahedral coordination provided by the three N atoms of the 2,2′:6′,2′′‐terpyridine ligand, the N and O atoms of the 2‐pyridinecarboxaldehyde (pyCHO) ligand and a chloride ligand. One of the cation sites is disordered such that the aldehyde group is replaced by a 20 (1)% contribution from a carboxylic acid group (aldehyde H replaced by carboxyl O—H). Notable dimensions in the non‐disordered complex cation are Ru—N 2.034 (2) Å and Ru—O 2.079 (2) Å to the pyCHO ligand and O—C 1.239 (4) Å for the pyCHO carbonyl group. 相似文献