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Cheng-Zhu Liao Xiao-Long Feng Jun-Hua Yao Jiwen Cai 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(10):1215-1216
In the crystal structure of the title compound, 2C3H8NO2+·C12H8O6S22−, N—H⃛O hydrogen bonds formed between the amino H atoms and the sulfonate O atoms give rise to the assembly of cationic β-alaninium dimers and centrosymmetric biphenyl-4,4′-disulfonate anions into an extended two-dimensional layer. The resulting hydrogen-bonded ribbons can be described as C(6)R(12) according to graph-set notation. C—H⃛O hydrogen bonds between adjacent sheets further extend the structure into a three-dimensional arrangement. 相似文献
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Caitlin F. Zipp Manuel A. Fernandes Joseph P. Michael Susan Winks 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(11):o553-o554
The title compound, C7H13NO, forms R22(8) N—H...O hydrogen‐bonded dimers and C4 N—H...O‐linked chains, which are further stabilized by a C—H...O interaction. The combination of these interactions results in a hydrogen‐bonded network parallel to (100), with a motif that can be described by the secondary graph set R46(16). The existence of the same hydrogen‐bonding motif in 1‐phenylcyclopentanecarboxamide and 1‐(2‐bromophenyl)cyclohexanecarboxamide [Lemmerer & Michael (2008). CrystEngComm, 10 , 95–102 indicates that replacing the H atom on position 1 with a more bulky group does not necessarily disrupt the observed hydrogen‐bonding pattern. The presence of a C—H...O interaction to stabilize the R46(16) network does, however, seem to be required. In addition, the title compound is isomorphous with a previously published structure of cyclopentanecarboxamide [Winter et al. (1981). Acta Cryst. B 37 , 2183–2185]. 相似文献
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Thorsten Allscher Peter Klüfers 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(7):o321-o323
In methyl β‐d ‐fructopyranoside, C7H14O6, the thermodynamically most stable methyl glycoside of the ketose d ‐fructose, the pyranose ring is close to being an ideal 2C5 chair. The compound forms bilayers involving a complex hydrogen‐bonding pattern of five independent hydrogen bonds. Graph‐set analysis was applied to distinguish the hydrogen‐bond patterns at unary and higher level graph sets. 相似文献
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Andreas Lemmerer David G. Billing Janine M. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(9):o481-o484
In 1‐naphthylammonium iodide, C10H10N+·I−, and naphthalene‐1,8‐diyldiammonium diiodide, C10H12N22+·2I−, the predominant hydrogen‐bonding pattern can be described using the graph‐set notation R42(8). This is the first report of a structure of a diprotonated naphthalene‐1,8‐diyldiammonium salt. 相似文献
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Andreas Lemmerer 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(12):o626-o629
The crystal structures and hydrogen‐bonding patterns of 3‐phenylpropylammonium benzoate, C9H14N+·C7H5O2−, (I), and 3‐phenylpropylammonium 3‐iodobenzoate, C9H14N+·C7H4IO2−, (II), are reported and compared. The addition of the I atom on the anion in (II) produces a different hydrogen‐bonding pattern to that of (I). In addition, the supramolecular heterosynthon of (II) produces a chiral crystal packing not observed in (I). Compound (I) packs in a centrosymmetric fashion and forms achiral one‐dimensional hydrogen‐bonded columns through charge‐assisted N—H...O hydrogen bonds. Compound (II) packs in a chiral space group and forms helical one‐dimensional hydrogen‐bonded columns with 21 symmetry, consisting of repeating R43(10) hydrogen‐bonded rings that are commonly observed in ammonium carboxylate salts containing chiral molecules. This hydrogen‐bond pattern, which has been observed repeatedly in ammonium carboxylate salts, thus provides a means of producing chiral crystal structures from achiral molecules. 相似文献
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Mao‐Lin Hu Xiao‐Qing Cai Jiu‐Xi Chen 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m403-m405
In the polymeric title compound, [CuCl2(C6H6N4)]n, each CuII ion is five‐coordinated by four basal atoms (two N atoms from a 2,2′‐biimidazole molecule and two Cl− anions) and one axial Cl− anion, in a distorted square‐pyramidal coordination geometry. Cl− anions bridge the {Cu(C6H6N4)Cl} units into one‐dimensional linear chains, which are reinforced by π–π interactions. Adjacent linear chains are linked by N—H⋯Cl hydrogen bonds, resulting in a grid layer. The hydrogen‐bonding pattern can be described in graph‐set notation as C(9)R(9)R(14). This study extends our knowledge of the multifunctional properties of the 2,2′‐biimidazole ligand and of the coordination stereochemistry of copper(II). 相似文献
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Pan Chen Yoshiharu Nishiyama Jean-Luc Putaux Karim Mazeau 《Cellulose (London, England)》2014,21(2):897-908
We have performed molecular dynamics calculations using a revised version of the Gromos56Acarbo force field to understand the consequences of the different potential hydrogen bonding patterns on the structural stability and thermal behavior of the Iα and Iβ forms of native cellulose. For each allomorph, we considered three patterns of hydrogen bonds: two patterns obtained from neutron diffraction data refinement and a regular mixture of the two. Upon annealing, the hydrogen bonding schemes of cellulose Iβ, irrespective of the starting structure, re-arranged into the main hydrogen bond pattern experimentally observed (pattern A). On the other hand, the Iα structures, irrespective of the starting hydrogen bonding pattern, converged to a non-experimental structure where the adjacent chains are shifted along the chain direction by 0.12 nm in the hydrogen-bonded plane, and the hydroxymethyl group conformation alternates between gt and tg along the chain. The exotic structure in Iα might be a consequence of a deficiency in force field parameters and/or potential molecular arrangement in less crystalline cellulose. 相似文献
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