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Crystal structure of di-ethyl-ammonium aniline-4-sulfonate anilinium-4-sulfonate.

ABSTRACT: The title compound, C₄H₁₂N⁺·C₆H₆NO₃S^-·C₆H₇NO₃S, consists of an ion pair and a zwitterionic neutral mol-ecule. The cation adopts an extended conformation [C-C-N-C torsion angles = 177.1?(3) and -178.4?(3)°]. In the crystal, the components are linked by N-H?O and N-H?N hydrogen bonds, generating a three-dimensional network, which is consolidated by weak C-H?O inter-actions.

SUBMITTER: Toure A

PROVIDER: S-EPMC5137620 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of di-ethyl-ammonium aniline-4-sulfonate anilinium-4-sulfonate.

Toure Assane A Diop Libasse L Diop Cheikh Abdoul Khadir CA Oliver Allen G AG

Acta crystallographica. Section E, Crystallographic communications 20161118 Pt 12

The title compound, C4H12N+·C6H6NO3S-·C6H7NO3S, consists of an ion pair and a zwitterionic neutral mol-ecule. The cation adopts an extended conformation [C-C-N-C torsion angles = 177.1 (3) and -178.4 (3)°]. In the crystal, the components are linked by N-H⋯O and N-H⋯N hydrogen bonds, generating a three-dimensional network, which is consolidated by weak C-H⋯O inter-actions. ...[more]

PMID: 27980842

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Crystal structure of di-chlorido-bis-(4-ethyl-aniline-?N)zinc.

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Crystal structure of 4-bromo-anilinium 4-methyl-benzene-sulfonate.

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Crystal structure of 2,5-di-methyl-anilinium salicylate.

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Crystal structure of tetra-ethyl-ammonium chloride 3,4,5,6-tetra-fluoro-1,2-di-iodo-benzene.

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Crystal structure of the thermochromic bis-(di-ethyl-ammonium) tetra-chlorido-cuprate(II) complex.

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Crystal structure of 3,4-di-chloro-anilinium hydrogen phthalate.

Project description:In the title salt, C6H6Cl2N(+)·C8H5O4 (-), the carb-oxy-lic acid and carboxyl-ate groups of the anion form dihedral angles of 20.79 (19) and 74.76 (14)°, respectively, with the plane of the benzene ring. In the crystal, mol-ecules are assembled into a two-dimensional polymeric network parallel to (100) via N-H⋯O and O-H⋯O hydrogen bonds. In addition, within the layer, there are π-π stacking inter-actions between the benzene rings of the cation and the anion [centroid-centroid distance = 3.6794 (17) Å]. A weak C-H⋯O interaction is also observed.

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Synthesis and crystal structure of tri-ethyl-ammonium hexa-bromido-uranate(IV) di-chloro-methane monosolvate.

Project description:Tri-ethyl-ammonium hexa-bromido-uranate(IV) di-chloro-methane monosolvate, [(C2H5)3NH]2[UBr6]·CH2Cl2, was obtained in the form of dark-brown crystals from the reaction of uranium penta-bromide with NEt3 and ethyl-ene glycol in di-chloro-methane at low temperature. During the progress of the reaction, the reduction of uranium(V) to uranium(IV) was observed, whose associated oxidation product could not be identified. The uranium atom of the [UBr6]2- anion is coordinated by six bromido ligands in the shape of an octa-hedron. Between cations, anion and solvent mol-ecules of crystallization, numerous C-H⋯Hal hydrogen-bond-like inter-actions are present, leading to a three-dimensional network structure.

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Crystal structures of sodium-, lithium-, and ammonium 4,5-di-hydroxy-benzene-1,3-di-sulfonate (tiron) hydrates.

Project description:The solid-state structures of the Na+, Li+, and NH4+ salts of the 4,5-di-hydroxy-benzene-1,3-di-sulfonate (tiron) dianion are reported, namely disodium 4,5-di-hydroxy-benzene-1,3-di-sulfonate, 2Na+·C6H4O8S22-, μ-4,5-di-hydroxy-benzene-1,3-di-sulfonato-bis-[aqua-lithium(I)] hemihydrate, [Li2(C6H4O8S2)(H2O)2]·0.5H2O, and di-ammonium 4,5-di-hydroxy-benzene-1,3-di-sulfonate monohydrate, 2NH4+·C6H4O8S22-·H2O. Inter-molecular inter-actions vary with the size of the cation, and the asymmetric unit cell, and the macromolecular features are also affected. The sodium in Na2(tiron) is coordinated in a distorted octa-hedral environment through the sulfonate oxygen and hydroxyl oxygen donors on tiron, as well as an inter-stitial water mol-ecule. Lithium, with its smaller ionic radius, is coordinated in a distorted tetra-hedral environment by sulfonic and phenolic O atoms, as well as water in Li2(tiron). The surrounding tiron anions coordinating to sodium or lithium in Na2(tiron) and Li2(tiron), respectively, result in a three-dimensional network held together by the coordinate bonds to the alkali metal cations. The formation of such a three-dimensional network for tiron salts is relatively rare and has not been observed with monovalent cations. Finally, (NH4)2(tiron) exhibits extensive hydrogen-bonding arrays between NH4+ and the surrounding tiron anions and inter-stitial water mol-ecules. This series of structures may be valuable for understanding charge transfer in a putative solid-state fuel cell utilizing tiron.

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