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1.
Graeme J. Gainsford Tim Kemmitt 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m206-m208
In the polymeric title compound, [Na2(C4H12BO4)2(CH4O)2]n, the two independent sodium cations are bound by five O atoms. All the O atoms of one tetramethoxyborate anion bind cations, forming a tetrameric cluster around a tetragonal inversion centre [Na—O = 2.2777 (18)–2.3907 (16) Å]. Two methanol O atoms bridge the two Na atoms [Na—O = 2.3590 (15)–2.4088 (18) Å] and provide the hydrogen‐bonding H atoms. The second tetramethoxyborate anion provides two O atoms to one Na atom [mean Na—O = 2.31 (2) Å] and two O atoms as donors for crosslinking hydrogen bonds to adjacent tetramers, which complete the three‐dimensional packing. The crystal was a treated as a racemic twin. 相似文献
2.
Matthew R. Wood Thomas A. Brettell Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m33-m35
The title salt, methyl (1R,2R,3S,5S,8S)‐3‐benzoyloxy‐8‐methyl‐8‐azabicyclo[3.2.1]octane‐2‐carboxylate tetrachloroaurate(III), (C17H22NO4)[AuCl4], has its protonated N atom intramolecularly hydrogen bonded to the O atom of the methoxycarbonyl group [N⋯O = 2.755 (6) Å and N—H⋯O = 136°]. Two close intermolecular C—H⋯O contacts exist, as well as five C—H⋯Cl close contacts. The [AuCl4]− anion was found to be distorted square planar. 相似文献
3.
Paul V. Bernhardt Nathan L. Kilah 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m245-m249
The pendent‐arm macrocyclic hexaamine trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine (L) may coordinate in tetra‐, penta‐ or hexadentate modes, depending on the metal ion and the synthetic procedure. We report here the crystal structures of two pseudo‐octahedral cobalt(III) complexes of L, namely sodium trans‐cyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine)cobalt(III) triperchlorate, Na[Co(CN)(C13H30N6)](ClO4)3 or Na{trans‐[CoL(CN)]}(ClO4)3, (I), where L is coordinated as a pentadentate ligand, and trans‐dicyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine)cobalt(III) trans‐dicyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diaminium)cobalt(III) tetraperchlorate tetrahydrate, [Co(CN)2(C14H32N6)][Co(CN)2(C14H30N6)](ClO4)4·4H2O or trans‐[CoL(CN)2]trans‐[Co(H2L)(CN)2](ClO4)4·4H2O, (II), where the ligand binds in a tetradentate mode, with the remaining coordination sites being filled by C‐bound cyano ligands. In (I), the secondary amine Co—N bond lengths lie within the range 1.944 (3)–1.969 (3) Å, while the trans influence of the cyano ligand lengthens the Co—N bond length of the coordinated primary amine [Co—N = 1.986 (3) Å]. The Co—CN bond length is 1.899 (3) Å. The complex cations in (II) are each located on centres of symmetry. The Co—N bond lengths in both cations are somewhat longer than in (I) and span a narrow range [1.972 (3)–1.982 (3) Å]. The two independent Co—CN bond lengths are similar [1.918 (4) and 1.926 (4) Å] but significantly longer than in the structure of (I), again a consequence of the trans influence of each cyano ligand. 相似文献
4.
Graeme J. Gainsford Tim Kemmitt 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m417-m418
The title compound, [Na(C8H20BO4)]n, has twofold crystallographic symmetry, with the Na+ cations bound by four O atoms [Na—O = 2.251 (3) Å]. The tetraethoxyborate anion acts as a bridging ligand to form one‐dimensional polymers running along the twofold crystal axis. The crystal was treated as a racemic twin. 相似文献
5.
Sung‐Nak Choi Sang‐Yub Kim Hae‐Wook Ryu Yong‐Min Lee 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m504-m506
In the title compound, [HgCl2(C15H26N2)], the chiral alkaloid (6R,7S,8S,14S)‐(−)‐l ‐sparteine acts as a bidentate ligand, with two Cl− ligands occupying the remaining coordination sites, producing a distorted tetrahedron. The N—Hg—N plane is twisted by 81.1 (2)° from the Cl—Hg—Cl plane. The mid‐point of the N⋯N line does not lie exactly on the Cl—Hg—Cl plane but is tilted towards one of the N atoms by 0.346 Å. Similarly, the mid‐point of the Cl⋯Cl line is tilted toward one of the Cl atoms by 0.163 Å. The packing structure shows that the complex is stabilized by two interatomic Cl⋯H contacts involving both Cl atoms and the methylene or methine H atoms of the (−)‐sparteine ligand. 相似文献
6.
Orde Q. Munro Mthembeni M. Ntshangase 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m224-m227
The low‐spin iron(II) ion of bis(4‐methylpiperidine)(5,10,15,20‐tetraphenylporphyrinato)iron(II), [Fe(TPP)(4‐MePip)2], where TPP is 5,10,15,20‐tetraphenylporphyrinate (C44H28N4) and 4‐MePip is 4‐methylpiperidine (C6H13N), is located at a center of inversion, and there is one molecule in the triclinic unit cell. The axial 4‐MePip ligands adopt a chair conformation and the α‐C atoms are oriented at angles of 21.2 (2) and 32.8 (2)° relative to the closest porphyrin N atoms. The equatorial Fe—NTPP distances are 1.998 (2) and 1.990 (2) Å, while the axial Fe—N distance is 2.107 (2) Å. The relatively short axial coordination distance reflects compression of the molecule along its principal axis by intermolecular non‐bonded interactions. 相似文献
7.
Kelly Flood Neil F. Curtis Ward T. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m78-m80
The title compound, [Co(NCS)2(C11H26N4)]2[Zn(NCS)4]·C2H5OH, has two similar cations with the CoIII atom coordinated in a planar fashion by the 13‐membered cyclic tetraamine, in the 1R,4S,7R,10S configuration, and with trans isothiocyanate ligands. The six‐membered chelate ring is in a chair conformation, with one axially and one equatorially oriented methyl substituent [mean Co—N = 1.948 (2) Å]. The `opposite' chelate ring (N4 and N7) is in an eclipsed conformation [mean Co—N = 1.928 (2) Å], and the `side' chelate rings have gauche conformations. The mean Co—NNCS distance is 1.928 (2) Å. Both cations have one Co—N—C group nearly linear and the other appreciably bent, with mean Co—N—C angles of 178.7 (1) and 160.4 (1)°, respectively. The [Zn(NCS)4]2− anion is approximately tetrahedral, with Zn—N = 1.951 (1)–1.986 (1) Å, N—Zn—N = 104.5 (1)–111.9 (1)° and Zn—N—C = 152.5 (1)–179.4 (1)°. One NH group is hydrogen bonded to the ethanol O atom and the other NH groups are bonded to thiocyanate S atoms, forming a network. 相似文献
8.
Fangfang Jian Ying Wang Lude Lu Xujie Yang Xin Wang Suchada Chantrapromma Hoong‐Kun Fun Ibrahim Abdul Razak 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):714-716
The crystal structures of tris(2‐methylquinolin‐8‐olato‐N,O)iron(III), [Fe(C10H8NO)3], (I), and aquabis(2‐methylquinolin‐8‐olato‐N,O)copper(II), [Cu(C10H8NO)2(H2O)], (II), have been determined. Compound (I) has a distorted octahedral configuration, in which the central Fe atom is coordinated by three N atoms and three O atoms from three 2‐methylquinolin‐8‐olate ligands. The three Fe—O bond distances are in the range 1.934 (2)–1.947 (2) Å, while the three Fe—N bond distances range from 2.204 (2) to 2.405 (2) Å. In compound (II), the central CuII atom and H2O group lie on the crystallographic twofold axis and the coordination geometry of the CuII atom is close to trigonal bipyramidal, with the three O atoms in the basal plane and the two N atoms in apical positions. The Cu—N bond length is 2.018 (5) Å. The Cu—O bond length in the basal positions is 1.991 (4) Å, while the Cu—O bond length in the apical position is 2.273 (6) Å. There is an intermolecular OW—H?O hydrogen bond which links the molecules into a linear chain along the b axis. 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.
Graeme J. Gainsford Tim Kemmitt 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m136-m138
In the title compound, [Na4(C8H16BO4)4(C4H10O2)]n, there are two coordination types for the four independent Na+ cations: two Na+ cations bond to six diolate O atoms [Na—O = 2.305 (2)–2.609 (2) Å], while the other two are five‐coordinate via one 1,4‐butanediol [2.289 (2) and 2.349 (3) Å] and four diolate O atoms [2.295 (2)–2.408 (2) Å]. Corresponding to this, there are three‐ and four‐coordinate diolate O atoms, the latter bridging Na atoms. The 1,4‐butanediol molecules lie on inversion centres. The boron stereochemistry shows minor local perturbations from its usual tetrahedral state [B—O = 1.457 (4)–1.503 (4) Å]. The resulting polymer packs as sheets parallel to the (10) plane crosslinked by the butanediol molecules. The structure was solved using data from a multiple crystal. 相似文献
11.
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
12.
Alain Bekaert Pascale Lemoine Jean Daniel Brion Bernard Viossat 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m76-m77
The title compound, tris[(R)‐2‐hydroxypropanamide‐κ2O,O′]zinc(II) tetrabromozincate, [Zn(C3H7NO2)3][ZnBr4], contains one monomeric six‐coordinate zinc complex cation and one tetrahedral [ZnBr4]2− anion. Both ZnII atoms lie on threefold axes. Coordination in the cation occurs via the amide and hydroxy O atoms [Zn—O = 2.074 (5) and 2.073 (6) Å] and has a distorted octahedral geometry, with cis‐O—Zn—O angles in the range 76.2 (2)–109.2 (2)°. In the crystal structure, the cations and anions are linked by N—H⋯Br and O—H⋯O hydrogen bonds, generating a three‐dimensional network. 相似文献
13.
Cara L. Nygren M. E. T. Bragg John F. C. Turner 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):m4-m6
In the title compound, [ZrCl2(C14H12N)2(C4H8O)2]·1.5C6H6, the Zr atom is pseudo‐octahedral, with two Cl atoms in trans positions and two tetrahydrofuran molecules in cis positions. The two 3,6‐dimethylcarbazolyl ligands are in cis positions and are canted with respect to one another. The two Zr—N distances are 2.1148 (18) and 2.1236 (18) Å, and the N—Zr—N angle is 95.08 (7)°. The title compound crystallizes as the benzene solvate, with one of the benzene molecules positioned on an inversion center. 相似文献
14.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o509-o511
In the title compound, 4‐iodoanilinium 2‐carboxy‐6‐nitrobenzoate, C6H7IN+·C8H4NO6−, the anions are linked by an O—H...O hydrogen bond [H...O = 1.78 Å, O...O = 2.614 (3) Å and O—H...O = 171°] into C(7) chains, and these chains are linked by two two‐centre N—H...O hydrogen bonds [H...O = 1.86 and 1.92 Å, N...O = 2.700 (3) and 2.786 (3) Å, and N—H...O = 153 and 158°] and one three‐centre N—H...(O)2 hydrogen bond [H...O = 2.02 and 2.41 Å, N...O = 2.896 (3) and 2.789 (3) Å, N—H...O = 162 and 105°, and O...H...O = 92°], thus forming sheets containing R(6), R(8), R(13) and R(18) rings. 相似文献
15.
Jiang‐Lin Fang Wei Huang Suchada Chantrapromma S. Shanmuga Sundara Raj Ibrahim Abdul Razak Hoong‐Kun Fun Shao‐Hua Gou Hong‐Sen Wang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1429-1430
A donor–acceptor compound, diaqua‐1κO,2κO‐[μ‐11,23‐dimethyl‐3,7,15,19‐tetraazatricyclo[19.3.1.19,13]hexacosa‐1(25),2,7,9,11,13(26),14,19,21,23‐decaene‐25,26‐diolato‐1κ4N3,N7,O25,O26:2κ4N15,N19,O25,O26]dizinc(II) diperchlorate bis(8‐methylquinoline) ethanol disolvate, [Zn2(C24H26N4O2)(H2O)2](ClO4)2·2C10H9N·2C2H6O, obtained by the reaction of a dinuclear zinc(II) complex of a Robson macrocycle (acceptor) and 8‐methylquinoline (donor), lies about an inversion centre and the coordination about the unique Zn atom is a distorted square pyramid. The fifth coordination site is occupied by the water molecule, Zn—O = 2.016 (2) Å, and the average macrocyclic Zn—O and Zn—N distances are 2.059 (6) and 2.059 (3) Å, respectively. 相似文献
16.
Carlos E. M. Carvalho Solange M. S. V. Wardell James L. Wardell Janet M. S. Skakle John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o28-o32
Molecules of the title compounds N2‐(benzoyloxy)benzamidine, C14H12N2O2, (I), N2‐(2‐hydroxybenzoyloxy)benzamidine, C14H12N2O3, (II), and N2‐benzoyloxy‐2‐hydroxybenzamidine, C14H12N2O3, (III), all have extended chain conformations, with the aryl groups remote from one another. In (I), the molecules are linked into chains by a single N—H⋯N hydrogen bond [H⋯N = 2.15 Å, N⋯N = 3.029 (2) Å and N—H⋯N = 153°] and these chains are linked into sheets by means of aromatic π–π stacking interactions. There is one intramolecular O—H⋯O hydrogen bond in (II), and a combination of one three‐centre N—H⋯(N,O) hydrogen bond [H⋯N = 2.46 Å, H⋯O = 2.31 Å, N⋯N = 3.190 (2) Å, N⋯O = 3.146 (2) Å, N—H⋯N = 138° and N—H⋯O = 154°] and one two‐centre C—H⋯O hydrogen bond [H⋯O = 2.46 Å, C⋯O = 3.405 (2) Å and C—H⋯O = 173°] links the molecules into sheets. In (III), an intramolecular O—H⋯N hydrogen bond and two N—H⋯O hydrogen bonds [H⋯O = 2.26 and 2.10 Å, N⋯O = 2.975 (2) and 2.954 (2) Å, and N—H⋯O = 138 and 163°] link the molecules into sheets. 相似文献
17.
Elizabeth J. MacLean Simon J. Teat Dorcas M. M. Farrell George Ferguson Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o470-o473
The title compound, meso‐5,7,7,12,14,14‐hexamethyl‐4,11‐diaza‐1,8‐diazoniacyclotetradecane bis(3‐carboxy‐5‐nitrobenzoate), C16H38N42+·2C8H4NO6?, is a salt in which the cation is present as two configurational isomers, disordered across a common centre of inversion in P, with occupancies of 0.847 (3) and 0.153 (3). The anions are linked into chains by a single O—H?O hydrogen bond [H?O 1.71 Å, O?O 2.5063 (15) Å and O—H?O 156°] and the cations link these anion chains into sheets by means of a range of N—H?O hydrogen bonds [H?O 1.81–2.53 Å, N?O 2.718 (5)–3.3554 (19) Å and N—H?O 146–171°]. 相似文献
18.
Vasu K. A. Nirmala Deepak Chopra S. Mohan J. Saravanan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o636-o638
The compounds 2‐{[(E)‐(4‐methoxyphenyl)methylene]amino}‐N‐(3‐methylphenyl)‐4,5,6,7‐tetrahydro‐1‐benzothiophene‐3‐carboxamide, C24H24N2O2S, (I), and N‐(4‐methylphenyl)‐2‐{[(E)‐(4‐methylphenyl)methylene]amino}‐4,5,6,7‐tetrahydro‐1‐benzothiophene‐3‐carboxamide, C24H24N2OS, (II), show antibacterial and antifungal activities. The m‐toluidine ring in (I) and the p‐toluidine ring in (II) are coplanar with their respective thiophene rings. In (I), an intermolecular C—H⋯O hydrogen bond is present, whereas (II) does not exhibit any significant intermolecular interactions. However, in both compounds, an intramolecular N—H⋯N hydrogen bond forms a pseudo‐six‐membered ring, thus locking the molecular conformation and eliminating conformational flexibility. 相似文献
19.
John F. Gallagher Paula N. Kelly Peter T. M. Kenny Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m552-m554
The title compound, [Fe(C5H5)(C21H16NO)], was synthesized from the coupling reaction of anthracene‐9‐carboxylic acid and ferrocenylmethylamine. The ferrocenyl (Fc) group and the anthracene ring system both lie approximately orthogonal to the amide moiety. An amide–amide interaction (along the a axis) is the principal interaction [N⋯O = 2.910 (2) Å]. A C—H⋯π(arene) interaction [C⋯centroid = 3.573 (2) Å] and a C—H⋯O interaction [C⋯O = 3.275 (3) Å] complete the hydrogen bonding; two short (Fc)C⋯C(anthracene) contacts are also present. 相似文献
20.
Henrik Birkedal Philip Pattison 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):o139-o141
The crystal structure of the title Schiff base {systematic name: 2,2′‐[methylenedi‐p‐phenylenebis(nitrilomethylidyne)]diphenol}, C27H22N2O2, consists of intramolecularly hydrogen‐bonded molecules interlinked by C—H⋯O hydrogen bonds [C⋯O = 3.426 (2) Å and C—H⋯O = 152.7 (17)°]. The molecule is in the enol form and is located on a twofold axis. The central methane C atom of the diphenylmethane motif is displaced from the aromatic ring planes. This effect is compared with previous results, which display an inverse correlation between the out‐of‐plane displacement and the C—C—C angle around the central methane C atom. In the title compound, the displacement is 0.124 (2) Å and the C—C—C angle is 110.18 (19)°. 相似文献