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1.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e260-e261
In the title two adducts, C3H12N22+·2C9H6NO4?, (I), and C6H16N22+·2C9H6NO4?, (II), hydrogen bonds between the diammonium and carboxylate ions form a two‐dimensional network parallel to the ab plane in (I) and one‐dimensional chains along the c axis in (II). The cyclohexanediammonium ion in (II) has a crystallographic twofold axis. 相似文献
2.
Uwe‐Christoph Knig Michael Berkei Frank Neikes Hans Preut Terence Nigel Mitchell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e53-e54
The title compound, dibromodimethyl(N‐methylpyrrolidin‐2‐one‐O)tin(IV), [SnBr2(CH3)2(C5H9NO)], exhibits pentacoordination of the Sn atom, with long and short Sn—Br bonds [2.6737 (4) and 2.5256 (4) Å, respectively]. The distorted trigonal–bipyramidal coordination polyhedron has two methyl groups and one Br atom in the equatorial plane, the second Br atom and the N‐methylpyrrolidinone (NMP) ligand occupying the apical positions. 相似文献
3.
Jacob M. Newman Hugh W. Thompson Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):o693-o696
Both title compounds, C9H14O3, display carboxyl‐dimer hydrogen‐bonding patterns. The 4‐acetyl isomer adopts a chiral conformation with negligible disordering of the methyl and carboxyl groups and forms centrosymmetric dimers across the b and c edges of the chosen cell [O?O = 2.667 (3) Å and O—H?O = 175°]. Intermolecular C—H?O close contacts were found for both carbonyl groups. In the 2‐acetyl isomer, there is no intramolecular interaction between the carboxyl and acetyl groups and the hydrogen bonding involves centrosymmetric carboxyl dimerization across the ab and ac faces of the chosen cell [O?O = 2.668 (2) Å and O—H?O = 173°]. The carboxyl group is negligibly disordered, but significant rotational disordering was found for the acetyl methyl group. An intermolecular C—H?O close contact was found involving the ketone group. 相似文献
4.
Anwar Usman Suchada Chantrapromma Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o48-o50
In the title complex, C6H12N4·C8H8O3, the hexamethylenetetramine molecule accepts a single intermolecular O—H?N hydrogen bond from the hydroxy group of the 4‐hydroxy‐3‐methoxybenzaldehyde moiety. The non‐centrosymmetric crystal structure is built from alternating molecular sheets of 4‐hydroxy‐3‐methoxybenzaldehyde and hexamethylenetetramine molecules, and is stabilized by intermolecular O—H?N, C—H?O and C—H?π interactions. 相似文献
5.
Yi‐Zhi Li Wei‐Wei Liu Yan‐Jie Li Guo‐Jun Pan Hong‐Wen Hu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o611-o612
An N,N′‐disubstituted dithiooxamide derivative reacts with 1,2‐dibromoethane to produce the title compound, C18H18N2S2, a heterocycle with a double Schiff base. In the crystal structure, the molecule of the title compound lies on a twofold axis. Weak C—H⋯π interactions are the principal intermolecular forces, mediating the formation of layers parallel to the ab plane. Each molecule participates as donor and acceptor in two such contacts. 相似文献
6.
Roger D. Willett Salim F. Haddad 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e438-e438
In the title compound, 4‐(dimethylamino)pyridine is protonated on the pyridine N atom. The N(CH3)2 moiety is twisted 4.4 (2)° from the pyridine‐ring plane. The octahedral [SnCl6]2? anion is hydrogen bonded via trans‐Cl atoms to pyridinium N atoms from two cations forming (C7H11N2)2[SnCl6] structural units. 相似文献
7.
A. Zeller E. Herdtweck T. Strassner 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m46-m47
The title compound, (C9H14N4)[CoCl4], a methylene‐bridged bis‐imidazolium salt containing a tetrachlorocobaltate anion, is one of the first examples where an alkyl‐bridged bis‐imidazolium compound could be structurally characterized. Short C—H·Cl contacts between the imidazolium C—H bonds and the Cl atoms of the counter‐anion build up a three‐dimensional network and indicate that the C—H bonds are strongly polarized. 相似文献
8.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m271-m274
Hexamethylenetetramine, C6H12N4, and ferrocenecarboxylic acid, C11H10FeO2, form a 1:2 adduct, (I), which is a salt, viz. hexamethylenetetraminium(2+) bis(ferrocenecarboxylate), (C6H14N4)[Fe(C5H5)(C6H4O2)]2. The dication in (I) is disordered with two orientations at a site of mm2 symmetry in space group Fmm2, while the anion lies across a mirror plane with its unsubstituted cyclopentadienyl ring disordered over two sets of sites. With ferrocene‐1,1′‐dicarboxylic acid, C12H10FeO4, hexamethylenetetramine forms a 1:1 adduct, (II), in which both components are neutral, viz. hexamethylenetetramine–ferrocene‐1,1′‐dicarboxylic acid (1/1), [Fe(C6H5O2)2]·C6H12N4. The amine component in (II) is disordered with two orientations at a site of mm2 symmetry in space group Cmcm, while the acid component is disordered with two orientations at a site of 2/m symmetry. The components in (I) are linked into a finite three‐ion aggregate by a single N—H⃛O hydrogen bond, while the components of (II) are linked into continuous chains by a single O—H⃛N hydrogen bond. 相似文献
9.
Takayoshi Suzuki 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e118-e119
The title compound [Co(C5H7O2)2(C13H13P)(CH4O)]PF6·H2O, (I), which was converted from trans‐[Co(acac)2(PMePh2)(H2O)]PF6 (acac is pentane‐2,4‐dionato) by recrystallization from aqueous methanol, has been confirmed as have a coordinated methanol ligand. The molecular structure of the complex cation, trans‐[Co(acac)2(PMePh2)(MeOH)]+, is similar to that of the above aqua complex found in the ClO4 salt [Kashiwabara et al. (1995). Bull. Chem. Soc. Jpn, 68 , 883–888]. The Co—O bond length for the coordinated methanol is 2.059 (3) Å. There is an intermolecular hydrogen bond between the OH group of the coordinated methanol and one of the O atoms of the acac ligands in an adjacent complex cation [O5?O3′ = 2.914 (4) Å], giving a centrosymmetric dimeric dicationic complex. 相似文献
10.
Kazuhiko Matsumoto Tetsuya Tsuda Toshiyuki Nohira Rika Hagiwara Yasuhiko Ito Osamu Tamada 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):m186-m187
In the title complex, (C6H11N2)3[LaCl6], centrosymmetric octahedral hexachlorolanthanate anions are located at the corners and face‐centers of the monoclinic unit cell. The ring H atoms of the cations interact with the Cl atoms of the anions via hydrogen bonding, and bifurcation of the hydrogen bonding is observed. Cation–cation interactions via hydrogen bonding between the ring H atoms and π‐electrons of aromatic rings are also observed as in other imidazolium salts. 相似文献
11.
Jacob M. Newman Hugh W. Thompson Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1152-1154
The structures are presented for both diastereomers of the title compound, C15H20O4, produced by base‐catalyzed self‐condensation of cyclohexane‐cis‐1,2‐dicarboxylic anhydride in refluxing triethylamine. Equilibration of either diastereomer under the condensation conditions yielded the same 5:3 mixture. In the crystal, one diastereomer, (II), is ordered, while the other, (I), displays both flexional ring disorder and carboxyl disorder; both aggregate as centrosymmetric hydrogen‐bonded dimers [for (I), O?O = 2.680 (2) Å; for (II), O?O = 2.635 (4) Å]. 相似文献
12.
Ming‐Liang Tong Shao‐Liang Zheng Xiao‐Ming Chen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):960-962
The title compound, poly[[diaquadibromocadmium‐μ‐(1,3,5,7‐tetraazatricyclo[3.3.1.13,7]decane‐N1:N5)‐aquacadmium‐di‐μ‐bromo‐aquacadmium‐μ‐(1,3,5,7‐tetraazatricyclo[3.3.1.13,7]decane‐N1:N5)‐di‐μ‐bromo] dihydrate], [Cd3Br6(C6H12N4)2(H2O)4]·2H2O, is made up of two‐dimensional neutral rectangular coordination layers. Each rectangular subunit is enclosed by a pair of Cd3(μ2‐Br)6(H2O)3 fragments and a pair of (μ2‐hmt)Cd(H2O)2Br2(μ2‐hmt) fragments as sides (hmt is hexamethylenetetramine). The unique CdII atom in the Cd2Br2 ring in the Cd3(μ2‐Br)6(H2O)3 fragment is in a slightly distorted octahedral CdNOBr4 geometry, surrounded by one hmt ligand [2.433 (5) Å], one aqua ligand [2.273 (4) Å] and four Br atoms [2.6409 (11)–3.0270 (14) Å]. The CdII atom in the (μ2‐hmt)Cd(H2O)2Br2(μ2‐hmt) fragment lies on an inversion center and is in a highly distorted octahedral CdN2O2Br2 geometry, surrounded by two trans‐related N atoms of two hmt ligands [2.479 (5) Å], two trans‐related aqua ligands [2.294 (4) Å] and two trans‐related Br atoms [2.6755 (12) Å]. Adjacent two‐dimensional coordination sheets are connected into a three‐dimensional network by hydrogen bonds involving lattice water molecules, and the aqua, bromo and hmt ligands belonging to different layers. 相似文献
13.
Uwe‐Christoph Knig Michael Berkei Claudia Hirsch Hans Preut Terence Nigel Mitchell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e450-e451
The synthesis and the X‐ray structural analysis of the title compound, μ‐chloro‐1:2κ2Cl‐trichloro‐1κCl,2κ2Cl‐tetramethyl‐1κ2C,2κ2C‐(N‐methylpyrrolidin‐2‐one)‐1κO‐ditin(IV), [Sn2Cl4(CH3)4(C5H9NO)], are described. The title compound is found to exhibit a distorted trigonal–bipyramidal geometry at both SnIV atoms. The Sn—Cl—Sn angle involving the bridging chlorine ligand is 135.56 (5)°, with the Sn—Cl bond lengths being 2.5704 (13) and 3.1159 (13) Å. 相似文献
14.
Esther García G. Virgilio Mendoza G. Jos Agustín Guzmn‐B. Luis Angel Maldonado Graniel Simn Hernndez‐Ortega 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o336-o338
In the molecule of the title compound, C13H18O3, there is a syn relationship between the two vicinal methyl groups. The six‐membered ring adopts a chair conformation, with one equatorial and two axial groups, and the furyl group is almost parallel to the ketone group. Intermolecular hydrogen bonds [O—H?O=C 2.814 (3) Å] form chains along [100]. 相似文献
15.
Won Seok Han Soon W. Lee 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m189-m190
In the title compound, azido‐2κN‐bis[μ‐(1η5:2κP)‐diphenylphosphinocyclopentadienyl][2(η5)‐pentamethylcyclopentadienyl]iron(III)rhodium(III) hexafluorophosphate, [{Rh(C10H15)(N3)}{Fe(μ‐C17H14P)2}]PF6 or [FeRh(C10H15)(μ‐C17H14P)2(N3)]PF6, the coordination sphere of RhIII can be described as pseudo‐tetrahedral, composed of two P atoms from a 1,1′‐bis(diphenylphosphino)ferrocene (dppf) ligand, an azido N atom and the centroid of the ring of a C5Me5 (Cp*) ligand. The two cyclopentadienyl rings in the dppf moiety adopt an eclipsed conformation. The Rh⋯Fe distance is 4.340 (2) Å. 相似文献
16.
John N. Low Justo Cobo Silvia Cruz Jairo Quiroga Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):o666-o668
The title compound, C17H24O4, crystallizes with two independent molecules, both lying across twofold rotation axes in space group Pccn, in a unit cell whose dimensions closely mimic those of a tetragonal cell. Each molecule contains paired O—H⋯O hydrogen bonds [H⋯O = 1.81 and 1.83 Å, O⋯O = 2.640 (2) and 2.642 (2) Å, and O—H⋯O = 168 and 162°]. 相似文献
17.
Li Xu Jian‐Hao Zhou Xue‐Tai Chen Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o513-o514
The title compound, C18H18N4S4·2C3H7NO, crystallizes with the dibenzyl dihydrazinecarbodithioate molecule residing on a crystallographic inversion centre. The molecule adopts a trans conformation with respect to the central C—C single bond. The dihedral angle between the phenyl group and the thiothiosemicarbazone unit is 74.1 (1)°. 相似文献
18.
Kishie Noguchi Hidetaka Yuge Takeshi Ken Miyamoto 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e40-e41
In the title compound, [Pd(C6H7N2O3)2(C2H8N2)]·5.5H2O, the Pd atom is coordinated by two 1,3‐dimethylbarbiturate anions through a deprotonated tetrahedral carbon and the enolate oxygen. The Pd—N bond length of 2.078 (2) Åtrans to the C atom is shorter than the Pt—N distance of 2.098 (3) Å in the Pt analog. 相似文献
19.
Magdalena Maecka Agnieszka Rybarczyk‐Pirek Tomasz A. Olszak Katarzyna Malinowska Justyn Ochocki 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):513-514
The X‐ray structure analysis of [Ni(C5H8N2)4(H2O)2]Cl2 was undertaken to elucidate the geometry around the Ni2+ ion. The molecule lies on a twofold axis which runs through the O—Ni—O atoms. The geometry around the Ni2+ ion is best described as slightly distorted tetragonal bipyramidal. 相似文献
20.
Weimin Lu Bin Wu Lina Wang Yueqing Lu 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):316-318
The title mononuclear complex, [Yb(C5H7O2)3(C12H8N2)(H2O)], is a most uncommon carboxylate complex of a rare earth metal. Each YbIII ion is eightfold coordinated, being bonded to five O atoms of three dimethylacrylate groups, both N atoms of a phenanthroline and one O atom of a water molecule, giving a distorted square antiprismatic coordination polyhedron. 相似文献