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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.

Project description:The title compound, [ZnCl2(C8H11N)2], was synthesized by the reaction of zinc dichloride and 4-ethyl-aniline. The Zn(2+) cation is coordinated by two Cl(-) anions and the N atoms of two 4-ethyl-aniline ligands, forming a distorted Zn(N2Cl2) tetra-hedron. The dihedral angle between the two benzene rings is 85.3?(2)° The Zn atom lies on a twofold rotation axis. The ethyl substituents are disordered over two sets of sites in a 0.74?(2):0.26?(2) ratio. In the crystal, N-H?Cl hydrogen bonds link the mol-ecules into sheets perpendicular to the a axis. C-H?Cl inter-actions also occur.

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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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Di-ethyl-ammonium di-hydrogen orthophosphate.

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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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