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Crystal structure of 3,5-bis-(4-chloro-phen-yl)-1-propyl-1,3,5-tri-aza-cyclo-hexane.

ABSTRACT: In the title mol-ecule, C18H21Cl2N3, the tri-aza-cyclo-hexane ring adopts a chair conformation with both 4-chloro-phenyl substituents in axial positions and the propyl group in an equatorial site. The dihedral angle between the planes of the benzene rings is 49.5?(1)°. In the crystal, mol-ecules are arranged in a head-to-tail fashion, forming columns along [010], and pairs of weak C-H?? inter-actions form inversion dimers between columns.

SUBMITTER: Lefrada L

PROVIDER: S-EPMC4186157 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 3,5-bis-(4-chloro-phen-yl)-1-propyl-1,3,5-tri-aza-cyclo-hexane.

Lefrada Leila L Bouchemma Ahcene A Bouacida Sofiane S Claiser Nicolas N Souhassou Mohamed M

Acta crystallographica. Section E, Structure reports online 20140830 Pt 9

In the title mol-ecule, C18H21Cl2N3, the tri-aza-cyclo-hexane ring adopts a chair conformation with both 4-chloro-phenyl substituents in axial positions and the propyl group in an equatorial site. The dihedral angle between the planes of the benzene rings is 49.5 (1)°. In the crystal, mol-ecules are arranged in a head-to-tail fashion, forming columns along [010], and pairs of weak C-H⋯π inter-actions form inversion dimers between columns. ...[more]

PMID: 25309226

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Crystal structure of [1-(2,6-diiso-propyl-phen-yl)-2,4-bis-(di-methyl-amino)-5-tri-methyl-silyl-1,3,5-tri-aza-penta-dienyl-?(2) N (1),N (5)](tri-phenyl-phosphane-?P)copper(I).

Project description:The title complex, [Cu(C21H38N5Si)(C18H15P)], was obtained from the one-pot reaction between (Dipp)N(Li)SiMe3 (Dipp = 2,6-diiso-propyl-phen-yl), Me2NCN, CuCl and PPh3. The Cu(I) atom has a distorted trigonal-planar coordination sphere. The tri-aza-penta-dienyl ligand acts as a ?(2)-donor. The N-Cu-N bond angle is 95.88?(14)°. In the tri-aza-penta-dienyl fragment, the C-N bond lengths are in the range 1.328?(5)-1.349?(5)?Å, which indicates delocalization of the ?-electrons in the NCNCN system.

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Tris(cis-2-hy-droxy-cyclo-hexane-1,3,5-tri-aminium) hydrogen sulfate octa-chloride dihydrate.

Project description:The 2-hy-droxy-cyclo-hexane-1,3,5-triaminium (= H(3)L(3+)) cation of the title compound, 3C(6)H(18)N(3)O(3+)·8Cl(-)·HSO(4) (-)·2H(2)O, exhibits a cyclo-hexane chair with three equatorial ammonium groups and one axial hy-droxy group in an all-cis configuration. The hydrogen sulfate anion and two water mol-ecules lie on or in proximity to a threefold axis and are disordered. The crystal structure features N-H?Cl and O-H?Cl hydrogen bonds. Three C(3)-symmetric motifs can be identified in the structure: (i) Two chloride ions (on the C(3)-axis) together with three H(3)L(3+) cations constitute an [(H(3)L)(3)Cl(2)](7+) cage. (ii) The lipophilic C(6)H(6)-sides of three H(3)L(3+) cations, which are oriented directly towards the C(3)-axis, generate a lipophilic void. The void is filled with the disordered water mol-ecules and with the disordered part of the hydrogen sulfate ion. The hydrogen atoms of these disordered moieties were not located. (iii) Three H(3)L(3+) cations together with one HSO(4) (-) and three Cl(-) counter-ions form an [(HSO(4))(H(3)L)(3)Cl(3)](5+) cage. Looking along the C(3)-axis, these three motifs are arranged in the order (cage 1)?(lipophilic void)?(cage 2). The crystal studied was found to be a racemic twin.

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(E,E,E)-1,6-Bis(4-chloro-phen-yl)hexa-1,3,5-triene.

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| S-EPMC3884503 | biostudies-literature

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