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1.
Na Liu Ai‐Ling Cheng En‐Qing Gao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o93-o95
In 3,4‐di‐2‐pyridyl‐1,2,5‐oxadiazole (dpo), C12H8N4O, each molecule resides on a twofold axis and interacts with eight neighbours via four C—H⋯N and four C—H⋯O interactions to generate a three‐dimensional hydrogen‐bonded architecture. In the perchlorate analogue, 2‐[3‐(2‐pyridyl)‐1,2,5‐oxadiazol‐4‐yl]pyridinium perchlorate, C12H9N4O+·ClO4− or [Hdpo]ClO4, the [Hdpo]+ cation is bisected by a crystallographic mirror plane, and the additional H atom in the cation is shared by the two pyridyl N atoms to form a symmetrical intramolecular N⋯H⋯N hydrogen bond. The cations and perchlorate anions are linked through C—H⋯O hydrogen bonds and π–π stacking interactions to form one‐dimensional tubes along the b‐axis direction. 相似文献
2.
Jun Ni Yi‐Zhi Li Wen‐Bin Qi Yong‐Jiang Liu Hui‐Lan Chen Zhi‐Lin Wang 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o470-o472
The title compound, 3,3′‐(4‐pyridylimino)dipropanenitrile, C11H12N4, has a twofold axis and consists of a pyridine ring head and two cyanoethyl tails, the three groups being linked by an N atom. The planar geometry around the amino N atom suggests conjugation with the π‐system of the pyridine ring. The molecules are stacked in a layer structure via relatively weak to very weak intermolecular C—H⃛π and C—H⃛N hydrogen‐bond interactions. 相似文献
3.
In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐nicotinato‐κ2N:O], [Ag(C6H4NO2)(C10H9N3)]n, the AgI atom is tetracoordinated by two N atoms from the di‐2‐pyridylamine (BPA) ligand [Ag—N = 2.3785 (18) and 2.3298 (18) Å] and by one N atom and one carboxylate O atom from nicotinate ligands [Ag—N = 2.2827 (15) Å and Ag—O = 2.3636 (14) Å]. Bridging by nicotinate N and O atoms generates a polymeric chain structure, which extends along [100]. The carboxyl O atom not bonded to the Ag atom takes part in an intrachain C—H⋯O hydrogen bond, further stabilizing the chain. Pairs of chains are linked by N—H⋯O hydrogen bonds to generate ribbons. There are no π–π interactions in this complex. In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐2,6‐dihydroxybenzoato‐κ2O1:O2], [Ag(C7H5O4)(C10H9N3)]n, the AgI atom has a distorted tetrahedral coordination, with three strong bonds to two pyridine N atoms from the BPA ligand [Ag—N = 2.286 (5) and 2.320 (5) Å] and to one carboxylate O atom from the 2,6‐dihydroxybenzoate ligand [Ag—O = 2.222 (4) Å]; the fourth, weaker, Ag‐atom coordination is to one of the phenol O atoms [Ag⋯O = 2.703 (4) Å] of an adjacent moiety, and this interaction generates a polymeric chain along [100]. Pairs of chains are linked about inversion centers by N—H⋯O hydrogen bonds to form ribbons, within which there are π–π interactions. The ribbons are linked about inversion centers by pairs of C—H⋯O hydrogen bonds and additional π–π interactions between inversion‐related pairs of 2,6‐dihydroxybenzoate ligands to generate a three‐dimensional network. 相似文献
4.
Ahmet Karadag Hümeyra Paaoglu Gkhan Kata Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m581-m583
The title compound, catena‐poly[[μ‐cyano‐1:2κ2C:N‐dicyano‐1κ2C‐trans‐bis[N‐(2‐hydroxyethyl)ethane‐1,2‐diamine‐2κ2N,N′]cadmium(II)nickel(II)]‐μ‐cyano‐1:2′κ2C:N], [CdNi(CN)4(C4H12N2O)2], consists of alternating square‐planar Ni(CN)4 fragments, formally dianionic, and Cd(hydet‐en)2 moieties [hydet‐en is N‐(2‐hydroxyethyl)ethylenediamine], with the two bridging cyanide ligands in a mutually trans disposition at the Ni atom and cis at the Cd atom. The resulting one‐dimensional zigzag chain structure has the Ni atom on an inversion center, while the distorted octahedron centered on the Cd atom lies on a twofold axis. The polymer chains are connected into undulating sheets by weak interchain N—H⋯N, N—H⋯O and O—H⋯N hydrogen bonds, which are also present between successive sheets. 相似文献
5.
Sankar Prasad Dey Dilip Kumar Dey Asok Kumar Mallik Lutz Dahlenburg 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):o321-o322
The title compound, 2‐hydroxyphenyl 5‐(pyrrol‐2‐yl)‐3H‐pyrrolizin‐6‐yl ketone, C18H14N2O2, was isolated from the base‐catalyzed 1:2 condensation of 2‐hydroxyacetophenone with pyrrole‐2‐carbaldehyde. The pyrrole N—H and hydroxybenzoyl O—H groups are hydrogen bonded to the benzoyl O atom. The allylic C=C double bond of the 3H‐pyrrolizine system is located between ring positions 1 and 2, the C atom at position 3 (adjacent to the N atom) being single bonded. 相似文献
6.
Janusz Kyzio Zdzisaw Daszkiewicz Jacek Zaleski 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o126-o128
In 2,4,6‐trimethyl‐N‐nitroaniline (alternatively called mesitylnitramine), C9H12N2O2, the primary nitramino group is planar with a short N—N bond and is nearly perpendicular to the aromatic ring. The methyl group located in the para position is disordered, each H atom having half‐occupancy. The molecules are linked together along the [100] axis by intermolecular N—H⋯O hydrogen bonds. 相似文献
7.
Maria Gdaniec Igor Bensemann Tadeusz Pooski 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o215-o216
Hindered rotation about the partial double C—N bonds between the amine and pyridine moieties in the title molecule, C16H14N4, results in two different conformations of the N‐aryl‐2‐aminopyridine units. One, assuming an E conformation, is involved in a pair of N—H⋯N hydrogen bonds that generate a centrosymmetric (8) motif. The second, adopting a Z conformation, is not engaged in any hydrogen bonding and is flattened, the dihedral angle between the benzene and pyridine rings being 12.07 (7)°. This conformation is stabilized by an intramolecular C—H⋯N interaction [C⋯N = 2.9126 (19) Å, H⋯N = 2.31 Å and C—H⋯N = 120°]. 相似文献
8.
Alexander S. Lyakhov Sergey V. Voitekhovich Pavel N. Gaponik Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o388-o389
The title compound, C8H13N5, is a novel functionally substituted 5‐alkyltetrazole. The substituent on the tetrazole C atom is symmetrical, with intrinsic symmetry close to m. There is intermolecular N—H⃛N hydrogen bonding between adjacent tetrazole rings, which is responsible for the formation of one‐dimensional polymeric chains running along the c axis. The polycrystalline compound exhibits frequency doubling for incident light (λ = 1064 nm) from a YAG:Nd pulsed laser. 相似文献
9.
Zhong‐Lu You Hai‐Liang Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m623-m624
The title complex, [Ag(C7H5O2)(C4H5N3)]n, is a polymer based on a mononuclear silver(I)‐centered fragment. The AgI atom is trigonally coordinated by two N atoms from two 2‐aminopyrimidine ligands and one O atom from one benzoate anion, giving zigzag polymeric chains with an [–Ag—N—C—N–]n backbone running along the a axis. It is proposed that intermolecular hydrogen bonding drives the formation of the chain polymer. 相似文献
10.
Shyamaprosad Goswami Reshmi Mukherjee Kumaresh Ghosh Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):716-717
In the title compound, N‐(6‐chloro‐4‐oxo‐3,4‐dihydropteridin‐2‐yl)‐2,2‐dimethylpropanamide, C11H12ClN5O2, the rings in the pterin moiety are planar. The amide carbonyl O atom is in syn‐periplanar conformation while the C—N—C—C propanamide linkage is antiperiplanar. The N—H?N and N—H?O intermolecular hydrogen bonds transform the molecules into infinite chains. 相似文献
11.
Arthur Camerman Andrew Hempel Donald Mastropaolo Norman Camerman 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o417-o419
In the crystal structure of 2‐acetamido‐N‐benzyl‐2‐(methoxyamino)acetamide (3L), C12H17N3O3, the 2‐acetylaminoacetamide moiety has a linearly extended conformation, with an interplanar angle between the two amide groups of 157.3 (1)°. In 2‐acetamido‐N‐benzyl‐2‐[methoxy(methyl)amino]acetamide (3N), C13H19N3O3, the planes of the two amide groups intersect at an angle of 126.4 (4)°, resulting in a chain that is slightly more bent. The replacement of the methoxyamino H atom of 3L with a methyl group to form 3N and concomitant loss of hydrogen bonding results in some positional/thermal disorder in the methoxy(methyl)amino group. In both structures, in addition to classical N—H⋯O hydrogen bonds, there are also weak non‐standard C—H⋯O hydrogen bonds. The hydrogen bonds and packing interactions result in planar hydrophilic and hydrophobic areas perpendicular to the c axis in 3L and parallel to the ab plane in the N‐methyl derivative. Stereochemical comparisons with phenytoin have identified two O atoms and a phenyl group as molecular features likely to be responsible for the anticonvulsant activities of these compounds. 相似文献
12.
Peter G. Jones Olga Crespo M. Concepcin Gimeno Antonio Laguna 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m411-m412
The title compound, [Ag(CF3O3S)(C10H9N3)]n, is a chain polymer in which neighbouring monomeric units are related by a glide plane. The silver centre is four‐coordinate; the donor atoms are one trifluoromethanesulfonate O atom and one pyridine N atom from each of two symmetry‐related dipyridylamines, and an additional and unexpected Ag⋯C contact [2.6464 (16) Å] is observed to a pyridine C atom. The chains are reinforced by one classical N—H⋯O and two `weak' C—H⋯O hydrogen bonds. 相似文献
13.
Maria Gdaniec Igor Bensemann Tadeusz Pooski 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):o735-o738
The 1:1 complexes N,N′‐bis(2‐pyridyl)benzene‐1,4‐diamine–anilic acid (2,5‐dihydroxy‐1,4‐benzoquinone) (1/1), C16H14N4·C6H4O4, (I), and N,N′‐bis(2‐pyridyl)biphenyl‐4,4′‐diamine–anilic acid (1/1), C22H18N4·C6H4O4, (II), have been prepared and their solid‐state structures investigated. The component molecules of these complexes are connected via conventional N—H?O and O—H?N hydrogen bonds, leading to the formation of an infinite one‐dimensional network generated by the cyclic motif R(9). The anilic acid molecules in both crystal structures lie around inversion centres and the observed bond lengths are typical for the neutral molecule. Nevertheless, the pyridine C—N—C angles [120.9 (2) and 120.13 (17)° for complexes (I) and (II), respectively] point to a partial H‐atom transfer from anilic aicd to the bispyridylamine, and hence to H‐atom disorder in the OHN bridge. The bispyridylamine molecules of (I) and (II) also lie around inversion centres and exhibit disorder of their central phenyl rings over two positions. 相似文献
14.
Yao‐Cheng Shi Bei‐Bei Zhu Xiao‐Bi Jing 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m559-m562
The molecules of N,N′‐bis(2‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide, [Fe(C12H11N2O)2], contain intramolecular N—H⋯N hydrogen bonds and are linked into sheets by three independent C—H⋯O hydrogen bonds. The molecules of the isomeric compound N,N′‐bis(3‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide lie across inversion centres, and the molecules are linked into sheets by a combination of N—H⋯N hydrogen bonds and π–π stacking interactions between pyridyl groups. 相似文献
15.
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
16.
Jens Hartung Michaela Schwarz Ingrid Svoboda Hartmut Fuess 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):o682-o684
The geometry of racemic methyl 2‐(4‐methyl‐2‐thioxo‐2,3‐dihydrothiazol‐3‐yloxy)propanoate, C8H11NO3S2, (I), is characterized by a distorted heterocyclic five‐membered ring and an enantiomorphic N‐alkoxy substituent, which is inclined at an angle of −68.8° to the thiazolethione plane in (M)‐(I). The unit cell consists of a 1:1 ratio of R,P‐ and S,M‐configured molecules of (I). The combination of a P configuration at the N—O axis and an R configuration at the asymmetric propanoate Cβ atom on one side, and an S,M configuration on the other side, is considered to originate from steric interactions. The largest substituent at the asymmetric propanoate Cβ atom, i.e. the methoxycarbonyl group, resides above the methyl substituent; the medium‐sized propanoate γ‐methyl substituent points in the opposite direction with respect to the N—O bond, whereas the H atom is located above the C=S double bond of the thiazolethione subunit. 相似文献
17.
Li‐Ping Lu Pin Yang Shi‐Dong Qin Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):m219-m220
The crystal structure of the title compound, [Cu(C4H10N5)2]·H2O, contains two independent copper N,N‐dimethylbiguanide complex units, each with square‐planar coordination of the Cu atom by four N atoms. The two complexes have different symmetry, with one Cu atom lying on an inversion centre and the other on a twofold rotation axis. The Cu—N bond lengths are 1.923 (2) and 1.950 (2) Å in the centrosymmetric complex, and 1.928 (2) and 1.938 (2) Å in the non‐centrosymmetric complex. The crystal structure is stabilized by N—H⋯O, O—H⋯N and N—H⋯N hydrogen bonds; each water molecule forms four hydrogen bonds involving three different Cu complexes. 相似文献
18.
Hui‐Fen Qian Wei Huang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m349-m351
The title compound, [Cu(ClO4)(C5H6N2)2(C12H12N2)]ClO4, was prepared by in situ partial ligand substitution between 3‐aminopyridine and 4,4′‐dimethyl‐2,2′‐bipyridine at room temperature. The central copper(II) ion is five‐coordinated by one bidentate 4,4′‐dimethyl‐2,2′‐bipyridine molecule, two monodentate pyridine‐coordinated 3‐aminopyridine molecules and one apical O atom from the perchlorate counter‐ion. Intermolecular N—H⋯O and C—H⋯O hydrogen‐bonding interactions form a hydrogen‐bond‐sustained network. 相似文献
19.
Christopher Glidewell John N. Low Manuel Melguizo Antonio Quesada 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o14-o18
In 2‐amino‐4,6‐dimethoxy‐5‐nitropyrimidine, C6H8N4O4, the molecules are linked by one N—H⋯N and one N—H⋯O hydrogen bond to form sheets built from alternating R(8) and R(32) rings. In isomeric 4‐amino‐2,6‐dimethoxy‐5‐nitropyrimidine, C6H8N4O4, which crystallizes with Z′ = 2 in P, the two independent molecules are linked into a dimer by two independent N—H⋯N hydrogen bonds. These dimers are linked into sheets by a combination of two‐centre C—H⋯O and three‐centre C—H⋯(O)2 hydrogen bonds, and the sheets are further linked by two independent aromatic π–π‐stacking interactions to form a three‐dimensional structure. 相似文献
20.
K. V. P. Pavan Kumar K. C. Kumara Swamy 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o668-o670
The molecular structures of the complexes imidazolium 6,6′‐di‐tert‐butyl‐4,4′‐dimethyl‐2,2′‐thiodiphenyl phosphate, C3H5N2+·C22H28O4PS−, (I), and imidazolium 6,6′‐di‐tert‐butyl‐4,4′‐dimethyl‐2,2′‐thiodiphenyl phosphate diisopropyl hydrazodicarboxylate hemisolvate, C3H5N2+·C22H28O4PS−·0.5C8H16N2O4, (II), have been determined. While (I) forms the expected hydrogen‐bonded chain utilizing the two imidazole N‐bound H atoms, in (II), the substituted hydrazine solvent molecule inserts itself between the chains. Compound (I) exhibits a strong N—H⋯O hydrogen bond, with an N⋯O distance of 2.603 (2) Å. The hydrazine solvent molecule in (II) lies about a twofold axis and the N‐bound H atoms are involved in bifurcated hydrogen bonds with phosphate O atoms. A C‐bound H atom of the imidazolium cation is involved in a C—H⋯O interaction with a carbonyl O atom of the hydrazine solvent molecule. 相似文献