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1.
Roman Jambor Ivana Císaov Ale Rui
ka Jaroslav Hole
ek 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):373-374
In the title compound, [Sn(C6H5)2(C12H19N2)]Br·H2O, the SnIV atom lies on a twofold axis and is coordinated by a C and two N atoms from the 2,6‐bis[(dimethylamino)methyl]phenyl ligand in a tridentate fashion and by two phenyl groups. The resulting geometry is intermediate between square pyramidal and trigonal bipyramidal, with three C atoms in equatorial and the two N atoms in axial positions. The main deformation from ideal trigonal‐bipyramidal geometry is seen for the N—Sn—N angle [152.18 (7)°]. The Br? anion and the water solvate molecule are on an inversion centre and twofold axis, respectively. They form an infinite chain of Br?H—O—H?Br hydrogen bonds [Br?O 3.529 (2) Å] without contributing to the primary coordination sphere of the Sn atom. 相似文献
2.
P. Perez‐Lourido J. A. García‐Vzquez J. Romero P. Fernandez A. Sousa‐Pedrares A. Sousa 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):e101-e102
The title compound, [2‐Ph2P(O)C6H4S]2 or C36H28O2P2S2, obtained by electrochemical oxidation of 2‐(diphenylphosphino)benzenethiol, has twofold crystallographic symmetry. Principal dimensions include S—S 2.0212 (15) Å, S—C 1.786 (3) Å and C—S—S—C 81.34 (14)°. 相似文献
3.
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
4.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):955-957
In the title compound, C4H12N22+·2C8H7O3?·2CH4O, the cations lie across centres of inversion and are disordered over two orientations with equal occupancy; there are equal numbers of (R)‐ and (S)‐mandelate anions present (mandelate is α‐hydroxybenzeneacetate). The anions and the neutral water molecules are linked by O—H?O hydrogen bonds [O?O 2.658 (3) and 2.682 (3) Å, and O—H?O 176 and 166°] into deeply folded zigzag chains. Each orientation of the cation forms two symmetry‐related two‐centre N—H?O hydrogen bonds [N?O 2.588 (4) and 2.678 (4) Å, and N—H?O 177 and 171°] and two asymmetric, but planar, three‐centre N—H?(O)2 hydrogen bonds [N?O 2.686 (4)–3.137 (4) Å and N—H?O 137–147°], and by means of these the cations link the anion/water chains into bilayers. 相似文献
5.
Fiona Brady John F. Gallagher Carol Murphy 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):365-368
The title compounds, C12H13NO4, are derived from l ‐threonine and dl ‐threonine, respectively. Hydrogen bonding in the chiral derivative, (2S/3R)‐3‐hydroxy‐2‐(1‐oxoisoindolin‐2‐yl)butanoic acid, consists of O—Hacid?Oalkyl—H?O=Cindole chains [O?O 2.659 (3) and 2.718 (3) Å], Csp3—H?O and three C—H?πarene interactions. In the (2R,3S/2S,3R) racemate, conventional carboxylic acid hydrogen bonding as cyclical (O—H?O=C)2 [graph set R22(8)] is present, with Oalkyl—H?O=Cindole, Csp3—H?O and C—H?πarene interactions. The COOH group geometry differs between the two forms, with C—O, C=O, C—C—O and C—C=O bond lengths and angles of 1.322 (3) and 1.193 (3) Å, and 109.7 (2) and 125.4 (3)°, respectively, in the chiral structure, and 1.2961 (17) and 1.2210 (18) Å, and 113.29 (12) and 122.63 (13)°, respectively, in the racemate structure. The O—C=O angles of 124.9 (3) and 124.05 (14)° are similar. The differences arise from the contrasting COOH hydrogen‐bonding environments in the two structures. 相似文献
6.
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
7.
John Kouvetakis Cole Ritter Thomas L. Groy 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e564-e564
The title molecule is dimeric, i.e. di‐μ‐trimethylsiloxy‐bis(dichloroaluminium), [Al2Cl4(C3H9Si)2], and possesses exact crystallographic inversion symmetry. The O atoms of the trimethylsiloxy groups bridge the two Al atoms to form a four‐membered ring. The Si—O bond distance [1.711 (3) Å], the Al—O mean bond distance [1.806 (4) Å] and the mean Si—C bond distance [1.875 (6) Å] appear to agree well with standard data. Mean values for C—Si—C, O—Si—C, and Si—O—Al angles are 112.9 (3), 105.8 (2), and 131.8 (2)° repectively. The two ring angles O—Al—O and Al—O—Al are 84.43 (16) and 95.57 (16)°, respectively. 相似文献
8.
Olof Kristiansson Patric Lindqvist‐Reis 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):163-164
The title compound, [Y(C2H6OS)2(H2O)6]Cl3, contains the cation [Y(H2O)6{(CH3)2SO}2]3+ with a distorted square antiprismatic geometry of the eight coordinated O atoms. The six water molecules are coordinated with an average Y—O distance of 2.38 (2) Å, ranging from 2.360 (3) to 2.404 (3) Å. Each water molecule forms two hydrogen bonds to the chloride anions with O—Cl distances ranging from 3.068 (4) to 3.422 (4) Å. The two dimethyl sulfoxide ligands, situated in the cis position with the O—Y—O angle equal to 83.22 (11)°, have Y—O distances of 2.269 (3) and 2.278 (3) Å. 相似文献
9.
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
10.
Pentacarbonyl{tris[4‐(methylsulfonyl)phenyl]stannyl}manganese(I): an unexpected tetragonal structure
Dharamdat Christendat Ivor Wharf Anne‐Marie Lebuis Ian S. Butler Denis F. R. Gilson 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m297-m299
The title compound, [MnSn(C7H7O2S)3(CO)5], is asymmetric but crystallizes in the highly symmetric tetragonal space group I. This is achieved without the need for any disorder, either around the Sn atom or in any of the methylsulfonyl groups. The environment around the Sn atom has the following geometry: Sn—Mn = 2.6564 (7) Å, mean Sn—C = 2.175 (5) Å, mean C—Sn—C = 103 (2)° and mean C—Sn—Mn = 115 (6)°. The crystal packing is assisted by weak Sn?O interactions between adjacent columns of molecules, with the resulting geometry at Sn approaching highly distorted trigonal–bipyramidal. 相似文献
11.
Rafal Kruszynski Tadeusz J. Bartczak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m439-m441
The title compound, [Sn4(CH3)8(C13H8Cl2NO2)2(C2H5O)2O2], is a centrosymmetric dimer, with three linearly fused four‐membered Sn—O—Sn—O rings. The coordination polyhedron of the Sn atom bonded to the carboxylate can be described as trigonal–bipyramidal distorted toward square‐pyramidal. That of the second Sn atom is similar, but the distortion towards square‐pyramidal geometry is greater. The Sn—O and Sn—C distances are 2.020 (2)–2.226 (2) and 2.096 (4)–2.114 (4) Å, respectively. The benzene rings of the 2‐[(2,3‐dichlorophenyl)amino]benzoate ligand subtend an angle of 50.49 (17)°; the conformation of the ligand is stabilized by intramolecular N—H⋯Cl and N—H⋯O hydrogen bonds. The structure is assembled viaπ–π stacking interactions to form chains parallel to [10]. 相似文献
12.
Viktor A. Tafeenko Rene Peschar Olga V. Kaukova Henk Schenk Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o62-o64
In the title compound, C8H12N+·C8HN4O2−, the anion and cation lie on a crystallographic mirror plane and form planar ribbons via N—H⋯O [N⋯O = 2.933 (4) Å, H⋯O = 2.01 Å and N—H⋯O = 170°] and N—H⋯N [N⋯N = 3.016 (5) Å, H⋯N = 2.15 Å and N—H⋯N = 169°] hydrogen bonds. The ribbons are further linked via weak C—H⋯O and C—H⋯N hydrogen bonds. In adjacent planes, anions lie opposite cations; π–π interactions (separation a/2 = 3.520 Å) exist between the anions and the cations, and stacks are formed, running along the a axis. The cations are disordered over two interpenetrating sites, with occupancies of 0.833 (5) and 0.167 (5). 相似文献
13.
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
14.
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
15.
Pance Naumov Mirjana Ristova Michael G. B. Drew Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e372-e373
In the title compound, [Ni(C2H3O)2(C3H4N2)4], the Ni atom is coordinated centrosymmetrically by four N and two O atoms in an octahedral coordination [Ni—N = 1.986 (3) and 2.054 (3) Å; Ni—O = 2.697 (3) Å]. The O atoms of the acetate anions form hydrogen bonds to adjacent imidazole moieties, with the free O atom forming a somewhat shorter bond [N?O = 2.679 (3) and 2.870 (4) Å]. The hydrogen bonds give rise to a two‐dimensional layer structure. 相似文献
16.
Shi‐Yao Yang Zhao‐Xiong Xie Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m123-m125
The crystal structure of the title compound, [Ag(C18H15P)4]2[Sn2(CH3)4(CF3CO2)6], consists of discrete tetrahedral cations and trans‐C2SnO4 octahedral dianions [C—Sn—C = 154.6 (2)°]. The dianion lies about a center of inversion and the two Sn atoms are linked unevenly by the carboxylate unit [Sn—O = 2.291 (3) Å and SnO = 2.818 (3) Å]. 相似文献
17.
Oscar Donoso‐Tauda Carlos A. Escobar Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o631-o632
The molecule of the title compound, C19H20O2S, corresponds to a chiral sulfinyldienol with two stereogenic centres, viz. the C atom susbtituted by the hydroxy group and the sulfinyl S atom. The molecule displays a V‐shape in the solid state. The dihedral angle defined by the least‐squares planes of the aromatic rings is 72.9 (1)°. The packing pattern exhibits the following intermolecular hydrogen bonds: one O—H⋯O [H⋯O = 1.98 Å, O⋯O = 2.785 (4) Å and O—H⋯O = 166°] and two C—H⋯O [H⋯O = 2.58 and 2.60 Å, C⋯O = 3.527 (5) and 3.347 (5) Å, and C—H⋯O = 164 and 134°]. These define a chain along b. 相似文献
18.
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
19.
Li‐Ming Wu Ling Chen Jingcao Dai Ping Lin Wen‐Xin Du Xin‐Tao Wu 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e382-e382
The title compound, [Sn(C5H5NS)2(C2H4S2)2], was obtained from a 1:2 mixture of bis(ethane‐1,2‐dithiolato)tin(IV) and 2‐mercaptopyridine. The molecules are discrete monomeric trans‐octahedral units, with the SnIV atom at the centre of symmetry, planar 2‐mercaptopyridine zwitterions and SnS2C2 groups in twist–envelope conformations. The 2‐mercaptopyridine ligands are monodentate and are bonded through the S atoms. The S—Sn distances between the S atom of edt (edt is ethane‐1,2‐dithiolate) and the Sn atom are 2.473 (1) and 2.505 (1) Å, which are slightly longer than the S—Sn distance in Sn(edt)2 of 2.390 (1) Å. The bond between the 2‐mercaptopyridine S atom and the Sn atom are, remarkably, weaker than the S—Sn bond involving edt. 相似文献
20.
John F. Gallagher Clare M. Coleman Donal F. O'Shea 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o139-o141
The orange title compound, C19H17N3O4S, can be synthesized either via microwave‐mediated combinatorial chemistry strategies or conventional synthetic procedures. The phenyl and meta‐nitrophenyl C6 rings are essentially coplanar with the central imidazolyl ring, with interplanar angles of 0.87 (5) and 0.97 (4)°, respectively, resulting in optimum conjugation (SCH2 moiety included); λmax = 281 nm in CH3CN. The principal intermolecular interactions are Nimid—H?Onitro and Nimid—H?O=C [N?O = 3.058 (2) and 3.432 (3) Å, and N—H?O = 128 and 153°, respectively]. The closest H?S distance is an intramolecular C—H?S contact, with H?S = 2.54 Å and C—H?S = 136°. 相似文献