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1.
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
2.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o636-o637
Molecules of the title compound, C13H8I2N2O3, are linked into C(4) chains by a single N—H⋯O=C hydrogen bond [H⋯O = 2.10 Å, N⋯O = 2.832 (5) Å and N—H⋯O = 140°]. Two independent two‐centre iodo–nitro interactions, both involving the same O atom but different I atoms [I⋯O = 3.205 (3) and 3.400 (3) Å, and C—I⋯O = 160.4 (2) and 155.7 (2)°], link the hydrogen‐bonded chains into bilayers. 相似文献
3.
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
4.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o15-o18
2‐Amino‐5‐nitrothiazole crystallizes from solution in ethanol as a monosolvate, C3H3N3O2S·C2H6O, in which the thiazole component has a strongly polarized molecular–electronic structure. The thiazole molecules are linked into centrosymmetric dimers by paired N—H⋯N hydrogen bonds [H⋯N = 2.09 Å, N⋯N = 2.960 (6) Å and N—H⋯N = 169°], and these dimers are linked by the ethanol molecules, via a two‐centred N—H⋯O hydrogen bond [H⋯O = 1.98 Å, N⋯O = 2.838 (5) Å and N—H⋯O = 164°] and a planar asymmetric three‐centred O—H⋯(O)2 hydrogen bond [H⋯O = 2.07 and 2.53 Å, O⋯O = 2.900 (5) and 3.188 (5) Å, O—H⋯O = 169 and 136°, and O⋯H⋯O = 55°], into sheets built from alternating (8) and (38) rings. These sheets are triply interwoven. 相似文献
5.
John Nicolson Low Justo Cobo Manuel Nogueras Adolfo Sánchez Jairo Quiroga Diana Mejía 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(11):1356-1358
Molecules of the title compound, C28H27ClN4O4·C2H6O, form a C(6) chain via an N—H⋯O hydrogen bond along the c axis by the operation of a c-glide plane, with N⋯O = 2.761 (3) Å and N—H⋯O = 165°. The molecules are further linked by a weak C—H⋯O interaction, with C⋯O = 3.344 (4) Å and C—H⋯O = 150°. Pendant hydrogen-bonded ethanol solvent molecules are attached to the chains by O—H⋯N hydrogen bonds, with O⋯N = 2.904 (3) Å and O—H⋯N = 175°. 相似文献
6.
Oscar Donoso‐Tauda Carlos A. Escobar Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o631-o632
The molecule of the title compound, C19H20O2S, corresponds to a chiral sulfinyldienol with two stereogenic centres, viz. the C atom susbtituted by the hydroxy group and the sulfinyl S atom. The molecule displays a V‐shape in the solid state. The dihedral angle defined by the least‐squares planes of the aromatic rings is 72.9 (1)°. The packing pattern exhibits the following intermolecular hydrogen bonds: one O—H⋯O [H⋯O = 1.98 Å, O⋯O = 2.785 (4) Å and O—H⋯O = 166°] and two C—H⋯O [H⋯O = 2.58 and 2.60 Å, C⋯O = 3.527 (5) and 3.347 (5) Å, and C—H⋯O = 164 and 134°]. These define a chain along b. 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.
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
9.
Viktor A. Tafeenko Rene Peschar Olga V. Kaukova Henk Schenk Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o62-o64
In the title compound, C8H12N+·C8HN4O2−, the anion and cation lie on a crystallographic mirror plane and form planar ribbons via N—H⋯O [N⋯O = 2.933 (4) Å, H⋯O = 2.01 Å and N—H⋯O = 170°] and N—H⋯N [N⋯N = 3.016 (5) Å, H⋯N = 2.15 Å and N—H⋯N = 169°] hydrogen bonds. The ribbons are further linked via weak C—H⋯O and C—H⋯N hydrogen bonds. In adjacent planes, anions lie opposite cations; π–π interactions (separation a/2 = 3.520 Å) exist between the anions and the cations, and stacks are formed, running along the a axis. The cations are disordered over two interpenetrating sites, with occupancies of 0.833 (5) and 0.167 (5). 相似文献
10.
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
11.
Cem Cüneyt Ersanl igdem Albayrak Mustafa Odabaoglu Ahmet Erdnmez 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o601-o602
The title compound, C13H10N2O4, adopts the keto–amine tautomeric form and displays an intramolecular N—H⋯O [N⋯O = 2.579 (2) Å] and three intermolecular O—H⋯O [O⋯O = 2.561 (2) Å] and C—H⋯O [C⋯O = 3.274 (2) and 3.318 (2) Å] hydrogen bonds. The keto–amine structure is favoured by through‐molecule conjugation between the hydroxy O atom and imine N atom. The dihedral angle between the planes of the two aromatic rings is 10.79 (4)°. 相似文献
12.
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
13.
John N. Low Justo Cobo Rodrigo Abonia Jairo Quiroga Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o194-o195
Molecules of the title compound, C13H16N4O2, are linked by one N—H⋯O hydrogen bond [H⋯O = 2.47 Å, N⋯O = 3.326 (2) Å and N—H⋯O = 166°] and one N—H⋯N hydrogen bond [H⋯N = 2.19 Å, N⋯N = 3.063 (2) Å and N—H⋯N = 173°] into sheets containing alternating (20) and (32) rings, both types of which are centrosymmetric. 相似文献
14.
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
15.
R. Alan Howie John N. Low James L. Wardell Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o84-o86
The title compound, C7H8N2O4S, exhibits a markedly polarized molecular–electronic structure. The molecules are linked into a chain of edge‐fused (12) rings by two N—H⋯Ozdbnd;S hydrogen bonds [H⋯O = 2.10 and 2.21 Å, N⋯O = 2.900 (2) and 2.878 (2) Å, and N—H⋯O = 152 and 133°]. 相似文献
16.
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
17.
Elizabeth M. Kikolski Hugh W. Thompson Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o394-o396
The asymmetric unit of the title compound, C24H36O4, contains three molecules, all differing in their side‐chain conformations and all linked by hydrogen bonding confined entirely within a three‐molecule block. One connection is of the acid‐to‐ketone type [O⋯O = 2.7055 (19) Å and O—H⋯O = 180°] and the other involves carboxyl pairing [O⋯O = 2.6485 (18) and 2.6598 (18) Å, and O—H⋯O = 168 and 174°]. Numerous intermolecular C—H⋯O close contacts connect neighbouring molecules. 相似文献
18.
Marina S. Fonari Eduard V. Ganin Wen‐Jwu Wang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o431-o433
In the centrosymmetric formula unit of the title complex, C8H16O4·2C18H16S, the 1,4,7,10‐tetraoxacyclododecane molecule adopts the biangular [66] conformation, and the triphenylmethanethiol molecules are linked to the macrocycle via a long S—H⋯O hydrogen bond [S⋯O = 3.460 (2) Å and S—H⋯O = 161 (2)°]. Attractive interactions of phenyl groups in edge‐to‐face conformations combine inversion‐related formula units into chains running along the [111] direction in the crystal structure. Association of the chains into sheets is achieved via C—H⋯π interactions. 相似文献
19.
Yue‐Ling Bai Jun Tao Rong‐Bin Huang Lan‐Sun Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m98-m100
In the title complex, poly[copper(II)‐di‐μ‐5‐carboxy‐1H‐imidazole‐4‐carboxylato], [Cu(C5H3N2O4)2]n or [Cu(H2Imda)2]n, each imidazole moiety is bonded to the Cu atom via O and N atoms to give a square‐planar coordination [Cu—O = 2.014 (2) and 2.016 (2) Å, and Cu—N = 1.982 (3) and 1.992 (2) Å]. The distorted square‐pyramidal geometry at the Cu atom results from coordination to an adjacent O atom [Cu—O = 2.305 (2) Å], which generates zigzag chains. There is a sixth, weaker, octahedral coordination to the Cu atom from an inversion‐related O atom [Cu—O = 3.090 (2) Å], which links the chains into sheets in the (100) plane. Imidazole moieties in the sheets are linked in the [100] direction by pairs of N—H⋯O and C—H⋯O hydrogen bonds, thus generating a three‐dimensional network. 相似文献
20.
Mustafa OdabasÛoglu igdem Albayrak Orhan Büyükgüngr Helmut Goesmann 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o234-o236
The title compound, C17H18ClN3O4, adopts the keto–amine tautomeric form and displays an intramolecular N—H⋯O hydrogen bond [N⋯O = 2.639 (2) Å]. The configuration around the azo N=N double bond is trans, and the dihedral angle between the planes of the two aromatic rings is 20.5 (2)°. The molecules are linked by O—H⋯O hydrogen bonds to form a three‐dimensional network. 相似文献