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1,3,5-Tris(4-bromo-phen-yl)-1,3,5-triazin-ane di-chloro-methane monosolvate.

ABSTRACT: In the main mol-ecule of the title compound, C21H18Br3N3·CH2Cl2, the triazinane ring adopts a chair conformation with three 4-brom-ophenyl substituents, two in diaxial positions and the third in an equatorial arrangement (eaa). The torsion angles around the N-C bonds in the triazinane ring are in the range 55.6?(5)-60.1?(5)°. The structure can be described as being built up of alternating layers along the b axis with the CH2Cl2 solvent mol-ecules sandwiched between these layers. No classical hydrogen-bonding inter-actions are observed in the crystal structure.

SUBMITTER: Chebbah M

PROVIDER: S-EPMC3685111 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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1,3,5-Tris(4-bromo-phen-yl)-1,3,5-triazin-ane di-chloro-methane monosolvate.

Chebbah Mahmoud M Bouchemma Ahcene A Bouacida Sofiane S Lefrada Leila L Bouhenguel Mustapha M

Acta crystallographica. Section E, Structure reports online 20130525 Pt 6

In the main mol-ecule of the title compound, C21H18Br3N3·CH2Cl2, the triazinane ring adopts a chair conformation with three 4-brom-ophenyl substituents, two in diaxial positions and the third in an equatorial arrangement (eaa). The torsion angles around the N-C bonds in the triazinane ring are in the range 55.6 (5)-60.1 (5)°. The structure can be described as being built up of alternating layers along the b axis with the CH2Cl2 solvent mol-ecules sandwiched between these layers. No classical hyd ...[more]

PMID: 23795130

Similar Datasets

Crystal structure of 4,6-di-amino-2,2-dimethyl-3-[3-(2,4,5-tri-chloro-phen-oxy)prop-oxy]-2,3-di-hydro-1,3,5-triazin-1-ium chloride methanol monosolvate.

Project description:In the title methanol-solvated salt, C14H19Cl3N5O2 (+)·Cl(-)·CH3OH, the triazine mol-ecule is protonated at one of the triazine N atoms. In the crystal, the triazine cations are linked through a pair of N-H⋯N hydrogen bonds, with graph-set R 2 (2)(8), forming an inversion dimer. The protonated N atom and the 2- and 4-amino groups of the triazine cation inter-act with the chloride anion through N-H⋯Cl hydrogen bonds, leading to the formation of a tape structure running along the b-axis direction. A short Cl⋯Cl contact [3.2937 (9) Å] is observed in the tape. The methanol mol-ecule is linked to the chloride anion and the triazine cation, respectively, by an O-H⋯Cl hydrogen bond and a C-H⋯O inter-action.

| S-EPMC4571422 | biostudies-literature

Dinitro-sylbis[tris-(4-fluoro-phen-yl)phosphane]iron chloro-form monosolvate.

Project description:The title compound, [Fe(NO)(2)(C(18)H(12)F(3)P)(2)]·CHCl(3), belongs to the family of metal dinitrosyl compounds with the general formula Fe(NO)(2)(L)(x), referred to collectively as 'dinitrosyl iron compounds' (DNICs). Herein we report the structure of a dinitrosyl iron diphosphane complex, (Fe(NO)(2)L(2), with L = P(C(6)H(4)-p-F)(3). The structure includes one metal complex mol-ecule and one chloro-form solvent mol-ecule. The iron atom is tetra-hedrally coordinated with two phosphane ligands and with two NO groups with Fe-N-O angles of 178.1 (2) and 177.0 (2)°.

| S-EPMC3051982 | biostudies-literature

6-Chloro-N,N-di-p-tolyl-1,3,5-triazine-2,4-diamine dimethyl-formamide monosolvate.

Project description:The title compound, C(17)H(16)ClN(5)·C(3)H(7)NO, was prepared by reaction of p-toluidine with 2,4,6-trichloro-1,3,5-triazine at room temperature. The dihedral angles between the triazine ring and the pendant rings are 3.61?(12) and 53.11?(12)°. An intra-molecular C-H?N inter-action occurs. The packing is stabilized by N-H?N and N-H?O hydrogen bonds and C-H?? and ?-? [centroid-centroid distance = 3.763?(1)?Å] inter-actions.

| S-EPMC2972005 | biostudies-literature

trans-Carbonyl-chloridobis[tris-(4-chloro-phen-yl)phosphane]rhodium(I) acetone monosolvate.

Project description:The title compound, trans-[RhCl(C(18)H(12)Cl(3)P)(2)(CO)]·C(3)H(6)O, contains an Rh(I) atom in a distorted square-planar coordination with a P-Rh-P angle of 175.27?(2)° and Rh-P bond lengths of 2.3127?(4) and 2.3219?(4)?Å. The rhodium complexes link each other through weak inter-molecular contacts between the acetone methyl groups and the carbonyl O atom. Inter-actions between the acetone solvent mol-ecule and the Cl-Rh unit results in a reduced P-Rh-Cl angle of 86.675?(15)°.

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cis-Dichloridobis[tris-(4-chloro-phen-yl)phosphane-κP]platinum(II) acetonitrile monosolvate.

Project description:The title compound, [PtCl(2)(C(18)H(12)Cl(3)P)(2)]·C(2)H(3)N, packs as monomeric units with a square-planar geometry around the Pt(II) atom. The two tris-(4-chloro-phen-yl)phosphane ligands are coordinated in a cis orientation, with P-Pt-P and Cl-Pt-Cl angles of 99.36 (2) and 88.02 (2)°, respectively. In the crystal, C-H⋯N inter-actions are observed between the phenyl rings and the acetonitrile solvent mol-ecules.

| S-EPMC3435633 | biostudies-literature

2-Amino-4-(4-bromo-phen-yl)-8-trifluoro-methyl-3,4-dihydropyrimido[1,2-a][1,3,5]triazin-6(5H)-one.

Project description:The title compound, C(13)H(9)BrF(3)N(5)O, crystallizes with two independent mol-ecules in the asymmetric unit. The pyrimidine rings of the mol-ecules are planar [maximum deviations 0.053 (3) and 0.012 (3) Å], while the triazine rings adopt flattened half-boat conformations with the p-bromo-phenyl rings in the flagpole positions. The crystal packing is stabilized by a three-dimensional network of inter-molecular N-H⋯N, N-H⋯O and N-H⋯F hydrogen bonds.

| S-EPMC2969032 | biostudies-literature

trans-Di-?-chlorido-bis-{chlorido[tris-(3,5-dimethyl-phen-yl)phosphane-?P]palla-dium(II)} dichloro-methane monosolvate.

Project description:In the dimeric title compound, [Pd2Cl4{P(C8H9)3}2]·CH2Cl2, the metal complex molecule is situated about an inversion centre and is accompanied by a dichloro-methane solvent mol-ecule situated on a twofold rotation axis. The Pd(II) atom has a slightly distorted square-planar coordination sphere. The effective cone angle for the tris-(3,5-dimethyl-phen-yl)phos-phane ligand was calculated to be 169°. In the crystal, the metal complex and solvent mol-ecules are linked via C-H?Cl inter-actions, generating chains along [10-2]. There are also C-H?? and weak ?-? inter-actions present [centroid-centroid distance = 3.990?(2)?Å, plane-plane distance = 3.6352?(15)?Å and ring slippage = 1.644?Å], forming of a three-dimensional structure.

| S-EPMC3588800 | biostudies-other

Benzene-1,3,5-triyl tris-(methane-sulfonate).

Project description:In the mol-ecule of the title compound, C(9)H(12)O(9)S(3), the two methanesulfonate groups re located one above and one below the ring plane. The C-O-S angle range is 119.3?(2)-121.1?(2)°. This conformation is different from that of the benzene analog 1,2,5-tris-(p-toluene-sulfonate), which is a three-legged 'table' with all fragments of the p-toluene-sulfonate on top of the benzene ring. In the crystal, the supra-molecular aggregation is completed by the presence of C-H?O hydrogen bonds.

| S-EPMC2983843 | biostudies-other

Tetra-ethyl-ammonium dicyanido(5,10,15,20-tetra-phenyl-porphyrinato)ferrate(III) di-chloro-methane monosolvate.

Project description:The title compound, (C8H20N)[Fe(C44H28N4)(CN)2]·CH2Cl2 or (Et4N)[Fe(TPP)(CN)2], was recrystallized from di-chloro-methane-diethyl ether. The compound crystallizes with the two unique halves of the Fe(III) porphyrinato complex, one tetra-ethyl-ammonium cation and one inter-stitial di-chloro-methane mol-ecule within the asymmetric unit. Both anionic Fe(III) complexes exhibit inversion symmetry. Both the cation and the solvent mol-ecules show positional disorder. The cation is disordered over two sets of sites with an occupancy ratio of 0.710 (3):0.290 (3); the solvent mol-ecule is disordered over three positions with a 0.584 (6):0.208 (3):0.202 (5) ratio. The crystal packing features columns of [Fe(TPP)(CN)2](-) anions that propagate along [001]. The columns further pack into layers that are parallel to (011) and also include the Et4N(+) cations. The inter-stitial CH2Cl2 mol-ecules appear in the inter-layer space. This complex may serve as a useful precursor for the assembly of multinuclear and extended CN-bridged complexes for the design of single-mol-ecule and single-chain magnets, respectively.

| S-EPMC3793695 | biostudies-literature

Crystal structure of zwitterionic 2-[bis-(2-meth-oxy-phen-yl)phosphanium-yl]-4-methyl-benzene-sulfonate monohydrate di-chloro-methane monosolvate.

Project description:In the title compound, C21H21O5PS·H2O·CH2Cl2, the phospho-nium-sulfonate zwitterion has the acidic H atom located on the P atom rather than the sulfonate group. The S-O bond lengths [1.4453 (15)-1.4521 (14) Å] are essentially equal. In the crystal, the water mol-ecules bridge two zwitterions via Owater-H⋯Osulfonate hydrogen bonds into a centrosymmetric dimer. The dimers are further linked by weak CAr-yl-H⋯Osulfonate hydrogen bonds into chains extending along [100]. The PH(+) group is not involved in inter-molecular inter-actions.

| S-EPMC4770967 | biostudies-literature

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