共查询到20条相似文献,搜索用时 15 毫秒
1.
John R. Tate Katherine Kantardjieff Guy Crundwell Larry M. Mink 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):m485-m486
In the title compound, [PtBr2(C48H36N4O4)]·0.896CHCl3·0.569CH3CN, the centrosymmetric metal complex is octahedral, with the porphyrin ring essentially planar and the Br atoms occupying axial positions. The two independent methoxyphenyl substituents are tilted at angles of 89.0 and 67.0° with respect to the porphyrin plane. The Pt—N distances are 2.035 (4) and 2.036 (4) Å and the Pt—Br distance is 2.4666 (6) Å. Chloroform and acetonitrile solvent molecules, exhibiting substantial disorder, occupy positions between the porphyrin molecules. This is the first crystal and molecular structure of a PtIV–porphyrin complex to be reported. 相似文献
2.
Sophia Lipstman Sankar Muniappan Israel Goldberg 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):o371-o373
Molecules of the title compound, porphyrin‐54,104,154,204‐tetrabenzoic acid, C48H30N4O8, lie on sites of 2/m symmetry in the space group Cmca. The crystals consist of doubly interwoven two‐dimensional supramolecular arrays sustained by multiple (COOH)2 cyclic dimeric hydrogen bonds, each molecule of the porphyrintetrabenzoic acid coordinating to four neighbouring species. This structure, which encloses substantial spaces occupied by disordered dimethylformamide solvent molecules, represents yet another supramolecular isomer of this porphyrin. 相似文献
3.
Srinivasulu Aitipamula Ashwini Nangia Ram Thaimattam Mariusz Jasklski 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o481-o484
In tris(4‐hydroxyphenyl)methane (or 4,4′,4′′‐methanetriyltriphenol), C19H16O3, molecules are connected by O—H⃛O hydrogen bonds [O⃛O = 2.662 (2) and 2.648 (2) Å] into two‐dimensional square networks that are twofold interpenetrated. In tris(4‐hydroxyphenyl)methane–4,4′‐bipyridine (1/1), C19H16O3·C10H8N2, trisphenol molecules form rectangular networks via O—H⃛O [O⃛O = 2.694 (3) Å] and C—H⃛O [C⃛O = 3.384 (3) Å] hydrogen bonds. Bipyridine molecules hydrogen bonded to phenol moieties [O⃛N = 2.622 (3) and 2.764 (3) Å] fill the voids to complete the structure. 相似文献
4.
Youngmee Kim Wonwoo Nam Mi Hee Lim Sook Won Jin Alan J. Lough Sung‐Jin Kim 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):556-557
The crystal structure of the title compound, [Fe(C44H20F8N4)(CH3O)], has been determined. The Fe atom lies 0.485 (1) Å out of the plane of the four N atoms to which it is coordinated and from the inversion centre at the origin of the unit cell. The methoxy group is axially coordinated to the Fe atom with O—Fe—N angles of 106.3 (2) and 102.4 (2)°, a C—O—Fe angle of 128.3 (5)° and an Fe—O distance of 1.788 (5) Å. Difluorophenyl rings are tilted from the porphyrin (por) plane with torsion angles of ?68.1 (6) and 77.7 (5)° across the two Cpor—C—C—Car systems. 相似文献
5.
Christopher Glidewell John N. Low James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1462-1464
In the title compound, 2‐(2‐nitrophenylthio)‐1,2‐benzothiazol‐3(2H)‐one 1,1‐dioxide, 2‐O2NC6H4S(C7H4NO3S) or C13H8N2O5S2, the planes of the saccharin and nitrophenylthiolate portions are almost orthogonal. The molecules are linked by C—H?O=S hydrogen bonds [C?O 3.308 (3) Å, H?O 2.44 Å and C—H?O 155°] into cyclic centrosymmetric R22(16) dimers, reinforced by aromatic π?π stacking interactions between the nitrated aryl rings. 相似文献
6.
Daniel Vega Daniel Fernndez Javier A. Ellena 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1092-1094
The title compound, raloxifene hydrochloride, C28H28NO4S+·Cl?, belongs to the benzothiophene class of antiosteoporotic drugs. In the molecular cation, the 2‐phenol ring sustains a dihedral angle of 45.3 (1)° relative to the benzo[b]thiophene system. The benzo[b]thiophene and phenyl ring planes are twisted with respect to the carbonyl plane, with the smallest twist component occurring between the phenyl and carbonyl planes. The N atom bears the positive charge in the molecular cation and the piperidine ring adopts an almost perfect chair conformation. The Cl? anion is involved in the formation of N—H?Cl and O—H?Cl intermolecular hydrogen bonds, which lead to the formation of a layer of molecular cations. 相似文献
7.
Solange M. S. V. Wardell James L. Wardell Mark F. Ward John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):865-867
Crystals of the title compound, C18H20N4O4, contain equal numbers of (R,R) and (S,S) molecules, but these are not precise enantiomorphs, neither are they related by crystallographic symmetry; in addition, each molecule exhibits approximate, but not exact, twofold rotational symmetry. There are intramolecular N—H?O hydrogen bonds [N?O 2.609 (4)–2.638 (5) Å; N—H?O 125–132°] and the molecules are linked into molecular ladders by C—H?O hydrogen bonds [C?O 3.306 (6)–3.386 (6) Å; C—H?O 146–160°]. 相似文献
8.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 相似文献
9.
Feng‐Ju Yang Xin Fang Hai‐Yang Yu Jun‐Dong Wang 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(11):m375-m377
The title compound, [Zn(C32H16N8)(C5H6N2)]·2C4H8O, consists of one (phthalocyaninato)zinc (ZnPc) unit, a coordinated 4‐aminopyridine (4‐ap) molecule and two tetrahydrofuran (THF) solvent molecules. The central Zn atom is (4+1)‐coordinated by four isoindole N atoms of the Pc core and by the pyridine N atom of 4‐aminopyridine. The Zn atom is displaced by 0.4464 (8) Å from the isoindole N4 plane towards the pyridine N atom. The crystal structure is stabilized by intermolecular amine–phthalocyaninate N—H...N hydrogen bonds and π–π interactions between the aggregated Pc rings, which form molecular layers, and by weak van der Waals interactions between the layers. As well as hindering the aggregation of ZnPc molecules by occupying an axial position, the amino group will add new interactions which will favor applications of ZnPc, for example, as a sensitizer of photodynamic therapy. 相似文献
10.
Alexander S. Lyakhov Pavel N. Gaponik Darya S. Pytleva Sergei V. Voitekhovich Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):m421-m422
The title compound, [Ni(BMTT)2], where BMTT is 1,3‐bis(2‐methyltetrazol‐5‐yl)triazenide (C4H6N11), presents a molecular complex with tridentate ligands. The tridentate mode of the ligand is realised through the central N atom of the triazene group and two N atoms of the two tetrazole rings. The [Ni(BMTT)2] molecule is the meridional isomer, with crystallographic symmetry in space group P42/n. The nickel centre has a distorted octahedral environment, with two axial Ni—N bonds of 2.041 (2) Å and four equatorial Ni—N bonds of 2.0739 (14) Å. The molecules are linked together by van der Waals interactions only. 相似文献
11.
M. Amaravathi B. Rajitha M. Kanakalingeswara Rao P. Sitadevi 《Journal of heterocyclic chemistry》2007,44(4):821-825
12.
Bernardo Masci Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o575-o579
Four derivatives of 2,6‐bis(hydroxymethyl)phenol, with various para substituents, have been investigated; these are 2,6‐bis(hydroxymethyl)‐4‐methylphenol, C9H12O3, (I), 2,6‐bis(hydroxymethyl)‐4‐methoxyphenol, C9H12O4, (II), 2,6‐bis(hydroxymethyl)‐4‐phenoxyphenol, C14H14O4, (III), and 2,6‐bis(hydroxymethyl)‐4‐[1‐(4‐methoxyphenyl)‐1‐methylethyl]phenol, C18H22O4, (IV). All four structures display hydrogen‐bonding networks resulting in sheets, with possible weak inter‐sheet π–π interactions in one case. In all the structures but one, the molecules form centrosymmetric dimeric subunits held together by two hydrogen bonds between the hydroxymethyl groups and, in two cases, by probable π–π interactions. 相似文献
13.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):914-917
In ferrocene‐1,1′‐diylbis(diphenylmethanol)–4,4′‐ethylenedipyridine (1/1), [Fe(C18H15O)2]·C12H12N2, there is an intramolecular O—H?O hydrogen bond in the ferrocenediol component and a single O—H?N hydrogen bond linking the two components into a finite monomeric adduct. Ferrocene‐1,1′‐diylbis(diphenylmethanol)–ethylenediamine (1/1), [Fe(C18H15O)2]·C2H8N2, crystallizes with Z′ = 2 in space group P, and there are two independent four‐component aggregates in the structure, both of which are centrosymmetric. In the first type of aggregate, the molecular components are linked by O—H?N and N—H?O hydrogen bonds, in which both diamine N atoms participate; in the second type of aggregate, the diamine component is disordered over two sets of sites, but only one N atom is involved in the hydrogen bonding. 相似文献
14.
Madhukar Hemamalini Packianathan Thomas Muthiah Gabriele Bocelli Andrea Cantoni 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o284-o286
In the title compound, C10H9N2+·C9H5INO4S−·2H2O, the 4,4′‐bipyridine molecule is protonated at one of the pyridine N atoms. These moieties self‐assemble into a supramolecular chain along the a axis through N—H⋯N hydrogen bonds. The quinolinol OH group acts as a donor with respect to a sulfonate O atom [O—H⋯O(sulfonate)] and acts as an acceptor with respect to a C—H group of ferron [C—H⋯O(hydroxy)], forming a supramolecular chain along the b axis. These two types of supramolecular chains (one type made up of bipyridine motifs and the other made up of sulfoxine motifs) interact viaπ–π stacking, generating a three‐dimensional framework. These chains are further crosslinked by C—H⋯O hydrogen bonds and O—H⋯O hydrogen bonds involving water molecules. 相似文献
15.
C. R. Girija Noor Shahina Begum Akheel Ahmed Syed Vijay Thiruvenkatam 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o611-o613
The title compound, C21H24O6, is the reduced form of curcumin, and exhibits important cosmoceutical properties. The molecule is non‐planar and the benzene rings positioned at the ends of the heptane chain are orthogonally placed, with a dihedral angle of 84.09 (7)° between them. The molecular geometry and H‐atom locations reveal that the `heptane‐3,5‐dione' moiety exists in the keto–enol form, with the hydroxy H atom disordered over two adjacent sites. The packing of the molecules in the lattice is directed by strong O—H⋯O intermolecular hydrogen bonds, which generate two‐dimensional sheets. These sheets are linked by C—H⋯O hydrogen bonds and weak C—H⋯π interactions to develop a three‐dimensional network. 相似文献
16.
T. S. Basu Baul S. Dhar E. R. T. Tiekink 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1280-1281
The title compound, C14H12N2O4, shows an E conformation about the diazenyl N atoms. The crystal structure features layers of molecules with the primary connection between the layers afforded by carboxylic acid dimer motifs; no evidence for extensive π–π stacking between the layers was found. 相似文献
17.
5,10,15,20‐Tetrakis[4‐(triorganostannyloxy)phenyl]porphyrins, (R3SnO)4TPP [2, R = Cy (a), Ph (b), PhC(CH3)2CH2 (c)], have been synthesized by the condensation of 4‐(triorganostannyloxy)benzaldehyde, 4‐(R3SnO)C6H4CHO (1), with pyrrole in the presence of BF3 followed by oxidation by p‐chloranil and characterized by means of elemental analysis, IR, UV–visible and NMR (1H, 13C and 119Sn) spectra. The results of X‐ray single‐crystal diffraction show that 1a and 1b possess a trans‐C3SnO2 trigonal bipyramidal geometry with the axial positions occupied by the phenolate oxygen and formyl group oxygen of an adjacent molecule and form a one‐dimensional zigzag chain. In 2a, the macrocyclic core of the porphyrin is coplanar and each tin atom possesses a distorted tetrahedral geometry. These compounds (1 and 2) have potent in vitro cytotoxic activity against two human tumor cell lines – CoLo205 and MCF‐7 – and the activity decreases in the order Ph > Cy > PhC(CH3)2CH2 for the R group bound to tin. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
18.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m1-m4
In the adduct ferrocene‐1,1′‐diylbis(diphenylmethanol)–1,2‐bis(4‐pyridyl)ethene (1/1), [Fe(C18H15O)2]·C12H10N2, there is an intramolecular O—H?O hydrogen bond in the ferrocenediol component and a single O—H?N hydrogen bond linking the diol to the diamine, which is disordered over two sets of sites, so forming a finite monomeric adduct. In the adduct ferrocene‐1,1′‐diylbis(diphenylmethanol)–1,6‐diaminohexane (2/1), 2[Fe(C18H15O)2]·C6H16N2, the amine lies across a centre of inversion in space group P. There is an intramolecular O—H?O hydrogen bond in the ferrocenediol, and the molecular components are linked by O—H?N and N—H?O hydrogen bonds, one of each type, into a C(13)[R(12)] chain of rings. 相似文献
19.
Sophia Lipstman Israel Goldberg 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(1):o3-o7
The title free base porphyrin compound forms hydrogen‐bonded adducts with N,N‐dimethylformamide, C44H30N4O4·4C3H7NO, (I), a mixture of N,N‐dimethylformamide and water, C44H30N4O4·4C3H7NO·H2O, (II), and a mixture of N,N‐dimethylacetamide and water, C44H30N4O4·6C3H7NO·2H2O, (III). Total solvation of the four hydroxy functions of the porphyrin molecules characterizes all three compounds, thus preventing its supramolecular association into extended network architectures. In (I), the asymmetric unit consist of two five‐component adduct species, while in (III), the nine‐component entities reside on centres of inversion. This report provides the first structural characterizations of the free base tetra(hydroxyphenyl)porphyrin. It also demonstrates that the presence of strong Lewis bases, such as dimethylformamide or dimethylacetamide, in the crystallization mixture prevents direct supramolecular networking of the porphyrin ligands via O—H...O—H hydrogen bonds, due to their competing O—H...N(base) interaction with the hydroxy functions. The crystal packing of compounds (I)–(III) resembles that of other hydrogen‐bonding‐assisted tetraarylporphyrin clathrates. 相似文献
20.
Mamiko Odoko Kyouta Yamamoto Nobuo Okabe 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):m469-m470
In the title compound, [Ca(C6H5O4)2(C6H6O4)2]·4H2O, which is a kojic acid–Ca2+ complex, the Ca atom is on a twofold axis and is octacoordinated by O atoms from four pyrone ligand molecules. The hydroxyl and ketone O atoms of each ligand form a five‐membered chelate ring with the Ca atom. The crystal structure is stabilized by partial stacking and O—H?O hydrogen bonds. 相似文献