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1.
Raffaella Puliti Carlo Andrea Mattia Lelio Mazzarella 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):o582-o584
In the title compound, C27H39IN3+·I?, the acridinium system shows the usual approximate mirror symmetry about the central C?N line, and the corresponding bond lengths and angles in the two halves agree within experimental error. The alkyl chain at the ring N atom is initially perpendicular to the ring plane and then bends sharply at the fourth C atom. Pairs of centrosymmetrically related cations overlap two of their rings and the dimethylamino groups are also partly involved in the overlap. Each I? ion is involved in short‐range interactions with two cations. These interactions give rise to a 14‐membered cyclic structure, which involves pairs of cations and anions across an inversion centre. 相似文献
2.
Andrew Hempel Norman Camerman Donald Mastropaolo Arthur Camerman 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1048-1049
In the title compound, dimethyl({5‐[2‐(1‐methylamino‐2‐nitroethenylamino)ethylthiomethyl]‐2‐furyl}methyl)ammonium chloride, C13H23N4O3S+·Cl?, protonation occurs at the dimethylamino N atom. The ranitidine molecule adopts an eclipsed conformation. Bond lengths indicate extensive electron delocalization in the N,N′‐dimethyl‐2‐nitro‐1,1‐ethenediamine system of the molecule. The nitro and methylamino groups are trans across the side chain C=C double bond, while the ethylamino and nitro groups are cis. The Cl? ions link molecules through hydrogen bonds. 相似文献
3.
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
4.
David C. Billington Philip R. Lowe Daniel L. Rathbone Carl H. Schwalbe 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):e211-e212
Of a series of pyridine‐2‐carboxamidrazone derivatives with activity against mycobacteria, the N1‐[4‐(1,1‐dimethylpropyl)benzylidene] derivative reported here, C18H22N4, is one of the most active. The predicted E isomer about the C11=N12 double bond is confirmed and intramolecular hydrogen bonding involving both amino H atoms helps to keep the molecule flat. The same donor and acceptor atoms also form intermolecular hydrogen bonds. 相似文献
5.
Guo‐Wu Rao Wei‐Xiao Hu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o281-o282
The title compound, C22H24N4O4, was prepared from propyl chloroformate and 3,6‐diphenyl‐1,2‐dihydro‐s‐tetrazine. This reaction yields the title compound rather than dipropyl 3,6‐diphenyl‐1,4‐dihydro‐s‐tetrazine‐1,4‐dicarboxylate. The 2,3‐diazabutadiene group in the central six‐membered ring is not planar; the C=N double‐bond length is 1.285 (2) Å, and the average N—N single‐bond length is 1.401 (3) Å, indicating a lack of conjugation. The ring has a twist conformation, in which adjacent N atoms lie 0.3268 (17) Å from the plane of the ring. The molecule has twofold crystallographic symmetry. 相似文献
6.
Madhukar Hemamalini Packianathan Thomas Muthiah Urszula Rychlewska Agnieszka Plutecka 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o95-o97
In the title compound, C6H10N3+·HSO4−, the asymmetric unit consists of a hydrogen sulfate anion and a 2‐amino‐4,6‐dimethylpyrimidinium cation. The hydrogen sulfate anions self‐assemble through O—H⋯O hydrogen bonds, forming supramolecular chains along the b axis, while the organic cations form base pairs via N—H⋯N hydrogen bonds. The aminopyrimidinium cations join to the sulfate anions via a pair of hydrogen bonds donated from the pyrimidinium protonation site and from the exo amine group cis to the protonated site. 相似文献
7.
Valiollah Mirkhani Reza Kia Sybolt Harkema 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m343-m344
The 1:1 adduct of N,N′‐bis(diphenylmethylene)ethylenediamine (bz2en) with copper(I) chloride, viz. [Cu(C28H24N2)2][CuCl2], has been synthesized. The structure contains cationic moieties of CuI ions (Cu on a twofold axis) coordinated to four N atoms of two bz2en molecules (in a distorted tetrahedron) and linear dichlorocuprate(I) anions (with Cu on an inversion centre). These cations and anions are packed in columns along b. The packing of the cation and anion columns involves a significant C—H⋯Cl interaction and four short intermolecular C—H⋯π contacts, two of which are between cation columns. 相似文献
8.
Olexyj M. Huta Ihor O. Patsaj Antoni Konitz Joanna Meszko Jerzy Baejowski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):o295-o297
The title compound, C15H11N2+·HN2O6?, crystallizes in the monoclinic space group C2/c with four molecules in the unit cell. The planar 9‐cyano‐10‐methylacridinium cations lie on crystallographic twofold axes and are arranged in layers, almost perpendicular to the ac plane, in such a way that neighbouring molecules are positioned in a `head‐to‐tail' manner. These cations and the hydrogen dinitrate anions are linked through C—H?O interactions involving four of the six O atoms of the anion and the H atoms attached to the C atoms of the acridine moiety in ring positions 2 and 4. The H atom of the hydrogen dinitrate anion appears to be located on the centre of inversion relating two of the four O atoms engaged in the above‐mentioned C—H?O interactions. In this way, columns of either anions or cations running along the c axis are held in place by the network of C—H?O interactions, forming a relatively compact crystal lattice. 相似文献
9.
Viktor A. Tafeenko Olga V. Kaukova Rene Peschar Aleksandr V. Petrov Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m421-m423
The crystal structure of the title potassium salt, K+·C8HN4O2−, of the organic anion 3‐cyano‐4‐(dicyanomethylene)‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olate shows that the dicyanomethylene moiety is able to accept an electron in the same way as does tetracyanoethylene, to yield the novel product. The organic anion is nearly planar, with deviations caused by steric crowding among the exocyclic cyano groups. The K+ cations lie within tricapped trigonal prisms that stack to form channels. The three‐dimensional structure is completed by the formation of hydrogen‐bonded chains by the anions. 相似文献
10.
Joanna Meszko Artur Sikorski Olexyj M. Huta Antoni Konitz Jerzy Baejowski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o669-o671
The title compounds, C14H12N+·CH3O4S?, (I), and C15H14N+·CH3O4S?, (II), respectively, crystallize with the planar 10‐methylacridinium or 9,10‐dimethylacridinium cations arranged in layers, parallel to the twofold axis in (I) and perpendicular to the 21 axis in (II). Adjacent cations in both compounds are packed in a `head‐to‐tail' manner. The methyl sulfate anion only exhibits planar symmetry in (II). The cations and anions are linked through C—H?O interactions involving three O atoms of the anion, six acridine H atoms and the CH3 group on the N atom in (I), and the four O atoms of the anion, three acridine H atoms and the carbon‐bound CH3 group in (II). The methyl sulfate anions are oriented differently in the two compounds relative to the cations, being nearly perpendicular in (I) but parallel in (II). Electrostatic interaction between the ions and the network of C—H?O interactions leads to relatively compact crystal lattices in both structures. 相似文献
11.
Ying Xu Hong‐Xi Li Wen‐Hua Zhang Yong Zhang Jian‐Ping Lang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m4-m6
In the title compound, [Cu2I2(C11H16N4)2], each of the two crystallographically equivalent Cu atoms is tetrahedrally coordinated by two N atoms from one 1,1′‐methylenebis(3,5‐dimethyl‐1H‐pyrazole) ligand and two bridging iodide anions. The molecule has a crystallographic center of symmetry located at the mid‐point of the Cu·Cu line. One H atom of the CH2 group of the 1,1′‐methylenebis(3,5‐dimethyl‐1H‐pyrazole) ligand interacts with an iodide ion in an adjacent molecule to afford pairwise intermolecular C—H·I contacts, thereby forming chains of molecules running along the [101] direction. 相似文献
12.
Miroslav Bo
a Ingrid Svoboda Franz Renz Hartmut Fuess 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m631-m633
The structure of the title compound, {(CH6N)[Co(CHO2)3]}n, consists of a three‐dimensional net of central CoII ions connected via formate (methanediolate) bridges. The negative charge is compensated by protonated methylamine cations. The CoO6 chromophores form slightly distorted octahedra, which are bridged by C atoms of formate groups. The central Co atom lies on an inversion center and most of the other atoms lie on an m plane. 相似文献
13.
Jos S. Casas Emilia García‐Martínez María Soledad García‐Tasende Agustín Snchez Jos Sordo Ezequiel M. Vzquez‐Lpez María Jos Vidarte 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):932-933
The title compound, [SnCl2(CH3)(C6H5)(C5H8N2)2], was obtained by reaction of dichloromethylphenyltin(IV) and 3,5‐dimethylpyrazole (dmpz) in chloroform, and was recrystallized from acetone. The structure consists of octahedral all‐trans [SnMePhCl2(dmpz)2] molecules, with the Sn atom coordinated to two C [Sn—C 2.127 (5) and 2.135 (4) Å], two Cl [Sn—Cl 2.5753 (8) Å] and two N atoms [Sn—N 2.357 (3) Å]. The dmpz ligands, bound to the metal through their unprotonated N atoms, form weak intra‐ and intermolecular hydrogen bonds with the Cl ligands via their NH groups, giving rise to a polymeric chain along the c axis. 相似文献
14.
Jane O'Leary John D. Wallis Michael L. Wood 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):851-853
The title compounds, 2‐(dimethylamino)biphenyl‐2′‐carboxaldehyde, C15H15NO, and 2‐(dimethylamino)biphenyl‐2′,6′‐dicarboxaldehyde, C16H15NO2, show similar 1,6‐interactions [N?C=O 2.929 (3) to 3.029 (3) Å] between the dimethylamino and aldehyde groups located in the ortho positions of the two rings, which lie at 58.1 (1)–62.4 (1)° to each other. 相似文献
15.
Xue‐Jie Tan Si‐Xiu Sun Jian‐Ping Ma Lian‐Dong Liu Yu‐Bin Dong Wen‐Tao Yu Dian‐Xiang Xing 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m476-m478
In the title compound, (C7H10N)[Ca(C3H7NO)6][PMo12O40], two types of cations {viz. 1,4‐dimethylpyridinium and a [Ca(DMF)6]2+ complex cation (DMF is dimethylformamide)} and dodecamolybdophosphate (tetracontaoxophosphidododecamolybdate) anions form an infinite three‐dimensional assembly via electrostatic forces. 相似文献
16.
J. Wilson Quail John A. Weil Malvinder P. Singh 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):235-236
The title molecule (DMPH‐H), C8H9N5O6, was investigated to provide comparison with 2,2‐diphenyl‐1‐picrylhydrazine, which unlike DMPH‐H is readily oxidizable to form a well known stable free radical (DPPH). The structure shows essential differences in the configuration of the hydrazine‐N atoms, the ortho‐nitro group orientations and the crystal packing. The bond angles of the dimethylamino N atom [107.90 (13), 108.96 (12) and 112.21 (13)°] are consistent with a tetrahedral N atom and sp3 hybridization. 相似文献
17.
F. Bentefrit P. Lemoine D. Nguyen‐Huy G. Morgant B. Viossat 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):m331-m333
The asymmetric unit of the title compound, [Ni(C11H16ClN5)2]Cl2·C3H7NO, contains one monomeric nickel(II) complex cation, two Cl− anions and one dimethylformamide solvent molecule. The Ni atom is coordinated to each of two 1‐(p‐chlorophenyl)‐5‐isopropylbiguanide (proguanil) ligands via two N atoms. The complex exhibits a square‐planar coordination, with the Ni atom lying 0.021 (2) Å out of the basal plane. The crystal packing is characterized by several hydrogen bonds. 相似文献
18.
Wen‐Na Zhao Jian‐Wei Zou Qing‐Shen Yu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):m443-m444
The title one‐dimensional chain nickel(II)–disulfide complex, [Ni(C14H8O4S2)(C5H5N)2(H2O)]n, has each NiII cation coordinated by two N atoms from two pyridine ligands, three carboxylate O atoms from two different dithiodibenzoate ligands and one O atom from a coordinated water molecule, in a distorted octahedral coordination geometry. Each dithiodibenzoate ion links two NiII cations through its carboxylate O atoms, making the structure polymeric. Hydrogen‐bond interactions between two shoulder‐to‐shoulder chains lead to the formation of a ladder‐like structure. 相似文献
19.
Jaromír Marek Dagmar Hulov Jií Dostl Radek Marek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o583-o585
The title compound [systematic name: 9,10‐dimethoxy‐2,3‐methylenedioxy‐5,6‐dihydrodibenzo[a,g]quinolizinium formate–succinic acid (1/1)], C20H18NO4+·CHO2−·C4H6O4, contains centrosymmetric pairs of almost planar berberine cations, and hydrogen‐bonded (C4H6O4⋯HCOO−)2 rings of succinic acid with formate anions, bonded by O—H⋯O hydrogen bonds with O⋯O distances of 2.4886 (15) and 2.5652 (16) Å. Pairs of cations and molecules of succinic acid are connected by non‐conventional weak C—H⋯O hydrogen bonds, with C⋯O distances of 3.082 (2) and 3.178 (2) Å. 相似文献
20.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e149-e150
In the three title crystal structures 4‐(dimethylamino)pyridinium 2,4‐dinitrobenzoate, (I), 4‐(dimethylamino)pyridinium 3,4‐dinitrobenzoate, (II), and 4‐(dimethylamino)pyridinium 3,5‐dinitrobenzoate, (III), all C7H11N2+·C7H3N2O6?, the ions are connected by an N—H?O hydrogen bond. Dihedral angles between the pyridine and phenyl rings are 69.9 (1), 26.7 (1) and 56.2 (1)° in (I), (II) and (III), respectively. Donor–acceptor π–π stacking is observed in (II) and (III), but not in (I). 相似文献