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1.
Olga Crespo M. Concepcin Gimeno Peter G. Jones Antonio Laguna 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):46-47
The title compound, 7‐[(Ph2P)Au(PPh3)]‐8‐(CH3)‐7,8‐nido‐C2B9H10]·0.5CH2Cl2 or [Au(C15H23B9P)(C18H15P)]·0.5CH2Cl2, is the first reported gold derivative of the ligand [7‐(Ph2P)‐8‐(CH3)‐7,8‐nido‐C2B9H10]?. It has a mononuclear structure with the gold centre in an essentially linear coordination [P—Au—P 174.041 (15)°]. The open C2B3 face contains one H atom that is strongly bonded to the central B atom and semi‐bridging to a neighbouring B atom [B—H distances 1.070 (16) and 1.45 (3) Å]. 相似文献
2.
Fernando Castaeda Christian Aliaga Clifford A. Bunton María Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o496-o499
The title ylides, 3‐(triphenylphosphoranylidene)pentane‐2,4‐dione, C23H21O2P, (I), and diethyl 2‐(triphenylphosphoranylidene)malonate, C25H25O4P, (II), differ in the conformations adopted by their extended ylide moieties. In (I), one carbonyl O atom is syn and the other is anti with respect to the P atom, the ylide group is nearly planar, with a maximum P—C—(C=O) angle of 18.2 (2)°, and the P—C, C—C and C=O bond lengths are consistent with electronic delocalization involving the O atoms. In (II), both carbonyl O atoms are anti and the ester groups are twisted out of the plane of the near trigonal ylide C atom, reducing delocalization, the largest P—C—(C=O) angle being 30.2 (2)°. 相似文献
3.
Laurent F. Groux Davit Zargarian 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e366-e367
The title compound, C23H24BP, crystallizes in the centrosymmetric space group P21/c, with one molecule in the asymmetric unit. The indene moiety is essentially planar. The P—B bond length is 1.923 (3) Å, which is within the expected range. 相似文献
4.
Irena Matulkov Ivana Císaov Ivan Nmec Jan Fbry 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(10):927-933
The X‐ray single‐crystal structure determinations of the chemically related compounds 2‐amino‐1,3,4‐thiadiazolium hydrogen oxalate, C2H4N3S+·C2HO4−, (I), 2‐amino‐1,3,4‐thiadiazole–succinic acid (1/2), C2H3N3S·2C4H6O4, (II), 2‐amino‐1,3,4‐thiadiazole–glutaric acid (1/1), C2H3N3S·C5H8O4, (III), and 2‐amino‐1,3,4‐thiadiazole–adipic acid (1/1), C2H3N3S·C6H10O4, (IV), are reported and their hydrogen‐bonding patterns are compared. The hydrogen bonds are of the types N—H...O or O—H...N and are of moderate strength. In some cases, weak C—H...O interactions are also present. Compound (II) differs from the others not only in the molar ratio of base and acid (1:2), but also in its hydrogen‐bonding pattern, which is based on chain motifs. In (I), (III) and (IV), the most prominent feature is the presence of an R22(8) graph‐set motif formed by N—H...O and O—H...N hydrogen bonds, which are present in all structures except for (I), where only a pair of N—H...O hydrogen bonds is present, in agreement with the greater acidity of oxalic acid. There are nonbonding S...O interactions present in all four structures. The difference electron‐density maps show a lack of electron density about the S atom along the S...O vector. In all four structures, the carboxylic acid H atoms are present in a rare configuration with a C—C—O—H torsion angle of ∼0°. In the structures of (II)–(IV), the C—C—O—H torsion angle of the second carboxylic acid group has the more common value of ∼|180|°. The dicarboxylic acid molecules are situated on crystallographic inversion centres in (II). The Raman and IR spectra of the title compounds are presented and analysed. 相似文献
5.
Gordana Pavlovi Lidija Barii Vladimir Rapi Veronika Kova
《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m55-m57
Heteroannularly substituted ferrocene derivatives can act as model systems for various hydrogen‐bonded assemblies of biomolecules formed, for instance, by means of O—H⋯O and N—H⋯O hydrogen bonding. The crystal structure analysis of 1′‐(tert‐butoxycarbonylamino)ferrocene‐1‐carboxylic acid, [Fe(C10H14NO2)(C6H5O2)] or (C5H4COOH)Fe(C5H4NHCOOC(CH3)3, reveals two independent molecules within the asymmetric unit, and these are joined into discrete dimers by two types of intermolecular hydrogen bonds, viz. O—H⋯O and N—H⋯O. The –COOH and –NHCOOR groups are archetypes for dimer formation via two eight‐membered rings. The O—H⋯O hydrogen bonds [2.656 (3) and 2.663 (3) Å] form a cyclic carboxylic acid dimer motif. Another eight‐membered ring is formed by N—H⋯O hydrogen bonds [2.827 (3) and 2.854 (3) Å] between the N—H group and an O atom of another carbamoyl moiety. The dimers are assembled in a herring‐bone fashion in the bc plane. 相似文献
6.
Antoni Konitz Harald Krautscheid Jerzy Pikies 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(1):m21-m23
The crystal structure of the title compound, [Pt(C8H18P2)(C9H21P)(C18H15P)] or [(Ph3P)(tBu2PMe)Pt(η2‐tBu2PP)], contains four molecules in the asymmetric unit with slightly different conformations. The P—P distances in the tBu2PP ligands are similar for all four molecules [2.0661 (13)–2.0678 (13) Å] and indicate a multiple character of the P—P bond in the tBu2PP ligand. Molecules of the asymmetric unit can be assembled into a tetrahedron that fulfils the requirements for a rhombic disphenoid. The coordination of the Pt atom in all four molecules is square planar, with r.m.s. deviations from the PtP4 planes in the range 0.03–0.05 Å. All planes of the PtP4 groups are approximately parallel to the ab plane of the unit cell. The structure represents an unusual unsymmetrical platinum phosphinidene derivative. 相似文献
7.
David E. Turkington George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o183-o185
In the title compound, C8H12N+·C2H4O5P−, the anions are linked by two O—H⋯O hydrogen bonds [H⋯O both 1.75 Å, O⋯O = 2.5781 (15) and 2.5834 (15) Å, and O—H⋯O = 169 and 176°] into sheets built from alternating (8) and (32) rings. Each cation is linked to an anion sheet by three N—H⋯O hydrogen bonds [H⋯O = 1.88–2.04 Å, N⋯O = 2.7603 (16)–2.9334 (17) Å and N—H⋯O = 162–166°], such that all the cations pendent from one face of the sheet are of the R configuration, while all those pendent from the opposite face are of the S configuration. 相似文献
8.
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
9.
Narayan S. Hosmane Chong Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):525-527
The title dimer, bis[1‐cyclopentadienyl‐2‐methyl‐1‐titana‐3‐trimethylsilyl‐2,3‐dicarba‐closo‐hexaborane(6)], [Ti(C5H5)(C6H16B4Si)]2, reveals that the centrosymmetric molecule consists of two bent‐sandwich titanacarboranes bridged by the B—H—Ti bonds. The average bond distances are Ti—B 2.445 (3), Ti—C(cage) 2.334 (2) and Ti—C(Cp) 2.376 (3) Å, and the corresponding bond angles are Cp—Ti—Cp 163.2 (1) and Cp—Ti—Cb (Cb = C2B3 face) 139.9 (1)°; the Ti—H separations are 2.10 (2) and 2.19 (2) Å. 相似文献
10.
Lilianna Chciska Magdalena Maecka Katarzyna Aranowska Justyn Ochocki 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):o4-o6
Molecules of the title compound, C8H12NO3P, exist as zwitterions. The positive charge formally located on the N atom is spread over the pyridyl ring. A partial delocalization of negative charge within the O—P—O system is observed. The conformational features and hydrogen‐bonding network of the title compound are compared with the structure of (2‐pyridylmethyl)phosphonic acid. 相似文献
11.
Ren T. Boer Mona Taghavikish 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(10):o381-o382
The title compound, C24H47PSi2, is the first organophosphane bearing two tert‐butyldimethylsilyl (TBDMS) groups to be crystallographically characterized, even though TBDMS is a very popular bulky silyl group. The structure is a considerably flattened trigonal pyramid, with the sum of the C/Si—P—C/Si angles being 333.35 (6)°, which can be attributed to the steric pressure from the three bulky groups. The P—Si distances [2.2605 (6) and 2.2631 (6) Å] are normal, while the P—C distance [1.8646 (12) Å] is long (outside the s.u. values) compared with related structures. The plane of the aryl ring approximately bisects the Si—P—Si angle, quite unlike the secondary (tert‐butyldimethylsilyl)(2,6‐diisopropylphenyl)phosphane bearing only one TBDMS group, in which the single Si atom is perpendicular to the aryl ring. The title structure conforms closely to that predicted from B3LYP/6‐31G(d) calculations, although the calculations overestimate the degree of planarity. The compound crystallizes centrosymmetrically in the space group P as isolated molecules. 相似文献
12.
Serkan Soylu Murat Ta Hanife Saraolu Hümeyra Bat Nezihe alkan Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o702-o704
In the title compounds, C18H20N2O2, (I), and C14H11N3O4·0.5H2O, (II), respectively, the oxime groups have an E configuration. In (I), the molecules exist as polymers bound by intermolecular C—H⋯O and O—H⋯N hydrogen bonds around inversion centres. In (II), intermolecular OW—H⋯N, OW—H⋯O and O—H⋯OW interactions stabilize the molecular packing. 相似文献
13.
Graeme J. Gainsford Andreas Luxenburger Anthony D. Woolhouse 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(8):o418-o420
The absolute configuration of the title cis‐(1R,3R,4S)‐pyrrolidine–borane complex, C18H34BNO2Si, was confirmed. Together with the related trans isomers (3S,4S) and (3R,4R), it was obtained unexpectedly from the BH3·SMe2 reduction of the corresponding chiral (3R,4R)‐lactam precursor. The phenyl ring is disordered over two conformations in the ratio 0.65:0.35. The crystallographic packing is dominated by the rarely found donor–acceptor hydroxy–borane O—H...H—B hydrogen bonds. 相似文献
14.
Khalid A. Al‐Farhan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o531-o532
In the title compound, C18H15OP·C11H8O2, co‐crystallization of triphenylphosphine oxide with 1‐naphthoic acid yields a supramolecular structure held together by one O—H⋯O and three C—H⋯O hydrogen bonds. The O—H⋯O hydrogen bond [O⋯O = 2.592 (2) Å] has little effect on the O=P bond distance. 相似文献
15.
Daniel B. Werz Frank Ohlbach Frank Rominger Rolf Gleiter 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):o1-o3
The title compounds are electron‐poor ethynes. The structure determination of bis(tert‐butylsulfonyl)ethyne, C10H18O4S2, (I), is the first of a bis‐sulfonyl‐substituted ethyne. The molecule is situated on a crystallographic inversion centre. The S—Csp bond [1.737 (2) Å] is the longest of this type reported to date. 1‐tert‐Butylsulfinyl‐2‐tert‐butylsulfonylethyne, C10H18O3S2, (II), which is basically the same as (I) minus one O atom, crystallizes isomorphous with (I). This results in a nearly equal distribution of the three O atoms over the four possible positions. 相似文献
16.
Mateusz F. Serafin Kraig A. Wheeler 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):o620-o621
The title bimolecular compound, C4H5N3·C21H18O2, constructed from 2‐aminopyrimidine and 3,3,3‐triphenylpropanoic acid, forms a tetramolecular hydrogen‐bonded motif via O—H...N, N—H...O and N—H...N contacts. This aggregate organizes to give crystal‐packing motifs with hydrophilic and hydrophobic regions. 相似文献
17.
Marisa Spiniello Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o94-o96
The structures of cis‐ and trans‐2‐(4‐tert‐butylcyclohexyloxy)‐1,3,5‐trinitrobenzene, C16H21N3O7, (I) and (II), respectively, were determined at low temperature in order to obtain accurate structural parameters for comparison purposes. The Calkyl—Oether bond distances are 1.497 (2) and 1.491 (2) Å for (I) and (II), respectively. 相似文献
18.
Dianne D. Ellis Anthony L. Spek Pieter Imhoff Cornelis J. Elsevier 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):836-837
The cationic part of the homodifunctional aminophosphoranyl ligand, C41H41N2P2+·I?, shows interesting features associated with the N—P—C—P—N skeleton. The P—C(H) bond distances [1.696 (3) and 1.697 (3) Å] possess partial double‐bond characteristics. The nature of the P—C(H) and P—N bonds suggests that the positive charge is only distributed around the P—C—P atoms. The structure has near twofold symmetry through the central methylide‐C atom. 相似文献
19.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o589-o590
In the title ternary complex, C10H9N2+·C7H3N2O6?·C7H4N2O6, the pyridinium cation adopts the role of the donor in an intermolecular N—H?O hydrogen‐bonding interaction with the carboxylate group of the 3,5‐dinitrobenzoate anion. The molecules of the ternary complex form molecular ribbons perpendicular to the b direction, which are stabilized by one N—H?O, one O—H?O and five C—H?O intermolecular hydrogen bonds. The ribbons are further interconnected by three intermolecular C—H?O hydrogen bonds into a three‐dimensional network. 相似文献
20.
Jaroslaw Chojnacki Magdalena Kloskowska Urszula Wjtowicz Wieslaw Wojnowski 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):m349-m351
In the title mononuclear lead silanethiolates, [Pb(C12H27O3SSi)2(C10H8N2)], (I), and [Pb(C12H27O3SSi)2(C24H16N2)]·0.5C6H6, (II), the Pb atom shows a distorted square‐pyramidal coordination with a PbON2S2 core in which one S atom lies in an axial position. Intermolecular π–π and C—H...π interactions stabilize the structures. The benzene solvent molecule in (II) lies on an inversion centre. 相似文献