Propane-1,2-diammonium chromate(VI)

Trabelsi, Sonia; Essid, Manel; Roisnel, Thierry; Rzaigui, M.; Marouani, Houda

doi:10.1107/s1600536814002463

Cited by 3 publications

(3 citation statements)

References 13 publications

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“…The distance Cr-O1 is notably the shortest (1.6196 (13) Å) because O1 is applied in weak hydrogen bonds (Table S1) at the same time as Cr-O4 distance is the longest (1.6774 (13) Å) because O4 is applied in three hydrogen bonds. These geometrical features have also been noticed in other related crystal structures [34].…”

Section: Structure Descriptionsupporting

confidence: 80%

Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)

Trabelsi

Issaoui

Brandán

et al. 2019

Journal of Molecular Structure

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The structure of bis(2-phenylethylammonium) chromate(VI) (2phCr) was determined from X-ray diffraction data. The compound crystallizes in the monoclinic system (space group C2/c) with the lattice parameters: a = 38.136(2) Å, b = 11.2334(6) Å, c = 8.1643(4) Å; β = 98.480(2) V= 3459.3(3) Å 3 and Z = 8. The structure was solved from 3358 independent reflections with R = 0.034 and Rw = 0.1089. The structure consists of discrete anions (CrO 4 2-) stacked in layers parallel to (b, c) plane at x = 1/4 and 3/4. These anions are connected to the 2-phenylethylammonium cations through N-H…O and C-H…O hydrogen bonds, forming a two-dimensional arrangement. Crystal structure and spectroscopic studies are reported for the 2phCr. In addition, Hirshfeld surfaces and two-dimensional fingerprint plots estimate the intermolecular interactions accountable for the generation of crystal packing. Furthermore, the title compound was screened for antibacterial activities against five pathogenic strains namely: Escherichia coli ATCC 8739, Salmonella typhimurium ATCC 14028, Staphylococus aureus ATCC 6538, Enterococcus feacium ATCC 19434 and Streptocoque B (Sreptococcus agalactiae) and antifungal activities against a clinical strain called Candida albicans ATCC 10231, corroborating significant activity. In silico investigation of bioactivity of 2phCr was performed via molecular docking analysis with four types of secreted aspartic proteinases (SAP, SAP1, SAP3, and SAP5) from Candida albicans to explore the antifungal properties in comparison to behavior of known antifungals used to treat Candida albicans, and with three types of β-ketoacyl acyl carrier protein synthase enzymes (KAS I (FabB), KAS II (FabF) and KAS III (FabH)) from Escherichia coli in comparison with that of aminothiazole, thilactomycin, and cerulerin antimicrobials. In addition, the complete assignments for 2phCr are reported considering monodentate coordination for the chromate group.

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Section: Structure Descriptionsupporting

confidence: 80%

Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)

Trabelsi

Issaoui

Brandán

et al. 2019

Journal of Molecular Structure

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“…Moreover, simple salts of 1,2-diaminopropane such as those with tetrahedral anions: [HPO 4 ] 2À (space group P2 1 /n) (Baouab & Jouini, 1998), [HAsO 4 ] 2À (P2 1 /n) (Lee & Harrison, 2003;Todd & Harrison, 2005) (Trabelsi et al, 2014) or propane-1,2-diaminium dichloride (Pna2 1 ; Pospieszna-Markiewicz et al, 2011) all crystallize as racemates.…”

Section: Crystal Structuresmentioning

confidence: 99%

Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates

Brozdowska

Chojnacki

2017

Acta Crystallogr Sect B

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A series of diaminium thiosulfates, derivatives of diamines: NHCHCH(CH)NH (1) and NH(CH)NH, n = 3-6 [(2)-(5)] and thiosulfuric acid were prepared and their structures determined by single-crystal X-ray diffraction analysis. Compounds (1), (2) and (4) turned out to be hydrates. The crystal structure of 1,2-propylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers [(1a) and (1b)] were obtained with high enantiometric excess and examined. An extended network of strong, charge-assisted hydrogen bonding of the N-H...O type (also O-H...O and O-H...S for hydrates) is most likely the main factor defining crystal packing and the variable conformation of the cations. The formation of chiral hydrogen-bond motifs - distorted cubans - seems to induce the formation of chiral solid-state structure from achiral components in the case of (4). Diaminium thiosulfates with an odd number of C atoms in the alkyl chain [compounds (1), (2) and (4)] form three-dimensional supramolecular networks, while in the case of diaminium salts with an even number of C atoms [(3) and (5)], two-dimensional layers of hydrogen-bond domains are observed. The aminium thiosulfates were also characterized by elemental analysis, NMR and Fourier transform (FT)-IR spectroscopy. The conformations of α,ω-alkyldiaminium cations in the solid state are discussed and rationalized by DFT calculations.

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“…, the crystal structures of hybrid compounds with organic ammonium cations have been determined for propane-1,3-diammonium tetrachloridozincate (Kallel et al, 1980), propane-1,3-diammonium dichromate(VI) (Trabelsi et al, 2012) and propane-1,2-diammonium chromate(VI) (Trabelsi et al, 2014). However, a combination of trans-cyclohexane-1,2-diammonium and CrO 4 2À has not been reported.…”

Section: àmentioning

confidence: 99%

Crystal structure oftrans-cyclohexane-1,2-diammonium chromate(VI) from synchrotron X-ray diffraction data

Moon

Choi

2016

Acta Cryst E

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Propane-1,2-diammonium chromate(VI)

Cited by 3 publications

References 13 publications

Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)

Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)

Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates

Crystal structure oftrans-cyclohexane-1,2-diammonium chromate(VI) from synchrotron X-ray diffraction data

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