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1,2,3-Trimeth-oxy-4,5,6-trinitro-benzene.

ABSTRACT: In the title mol-ecule, C(9)H(9)N(3)O(9), the three neighbouring nitro groups are tilted with respect to the benzene mean plane by 75.8?(1), 27.7?(1) and 68.1?(1)°. The methyl C atoms of the three neighbouring meth-oxy groups deviate from this plane by 0.976?(4), -1.425?(4) and 0.632?(4)?Å. The crystal packing exhibits weak C-H?O inter-actions.

SUBMITTER: Merten GJ

PROVIDER: S-EPMC3295474 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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1,2,3-Trimeth-oxy-4,5,6-trinitro-benzene.

Merten Günter J GJ Neis Christian C Hegetschweiler Kaspar K

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3

In the title mol-ecule, C(9)H(9)N(3)O(9), the three neighbouring nitro groups are tilted with respect to the benzene mean plane by 75.8 (1), 27.7 (1) and 68.1 (1)°. The methyl C atoms of the three neighbouring meth-oxy groups deviate from this plane by 0.976 (4), -1.425 (4) and 0.632 (4) Å. The crystal packing exhibits weak C-H⋯O inter-actions. ...[more]

PMID: 22412585

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5-{2-(4-Chloro-phen-yl)-1-[2-(4-chloro-phen-yl)-1-(3,4,5-trimeth-oxy-phen-yl)eth-oxy]eth-yl}-1,2,3-trimeth-oxy-benzene.

Project description:The title compound, C(34)H(36)Cl(2)O(7), is a by-product from the reaction of 4-chloro-benzyl-zinc chloride with 3,4,5-trimeth-oxy-benzaldehyde. In each of the two 1,2-diphenyl-ethyl moieties, the two benzene rings are arranged in a trans conformation and make C(ar)-C-C-C(ar) torsion angles of 163.64 (19) and 174.43 (18)°. The crystal structure is stabilized by van der Waals inter-actions only.

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1-Methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]pyridinium 4-meth-oxy-benzene-sulfonate monohydrate.

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1,2,3-Trifluoro-benzene.

Project description:In the title compound, C(6)H(3)F(3), weak electrostatic and dispersive forces between C(?+)-F(?-) and H(?+)-C(?-) groups are at the borderline of the hydrogen-bond phenomenon and are poorly directional and further deformed in the presence of ?-? stacking inter-actions. The mol-ecule lies on a twofold rotation axis. In the crystal structure, one-dimensional tapes are formed via two anti-dromic C-H?F hydrogen bonds. These tapes are, in turn, connected into corrugated two-dimensional sheets by bifurcated C-H?F hydrogen bonds. Packing in the third dimension is furnished by ?-? stacking inter-actions with a centroid-centroid distance of 3.6362?(14)?Å.

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(E,E)-N-(2,3,4,5,6-Penta-fluoro-benzyl-idene)-N-(3,4,5-trimeth-oxy-benzyl-idene)benzene-1,4-diamine.

Project description:The title compound, C(23)H(17)F(5)N(2)O(3), forms a layered centrosymmetric crystal structure in which C-H⋯F inter-actions are responsible for the formation of planar ribbons along [110], meth-oxy-meth-oxy (C-H⋯O) inter-actions for the formation of layers parallel to [[Formula: see text]13], and OCH(3)⋯π and C-F⋯π inter-actions for the stacking of these layers.

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2,4,5-Trimeth-oxy-benzaldehyde monohydrate.

Project description:In the title compound, C(10)H(12)O(4)·H(2)O, the 2,4,5-trimeth-oxy-benzaldehyde mol-ecule is almost planar (rms deviation = 0.0183?Å). There is an R(1) (2)(5) ring motif due to O-H?O hydrogen bonding. In the crystal, the mol-ecules are stabilized in the form of one-dimensional polymeric chains extending along [010] due to O-H?O hydrogen bonding with adjacent water mol-ecules. The H atoms involved in inter-molecular hydrogen bonding are disordered over two sets of sites of equal occupancy.

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Trimeth-yl(triphenyl-meth-oxy)silane.

Project description:In the title mol-ecule, C(22)H(24)OSi, the Si-O-C angle is 139.79?(11)°, the O-C-C angles of the triphenyl-meth-oxy group are in the range 106.13?(13)-109.22?(14)° and the O-Si-C angles of the trimethyl-sil-yloxy group are in the range 103.08?(10)-113.53?(10)°. In the crystal, face-to-face ?-? interactions are observed between the phenyl rings [centroid separation = 4.194?(1)?Å, interplanar spacing = 3.474?Å and centroid shift = 2.35?Å]. The three phenyl groups of the triphenyl-methyl substituent are mutually nearly perpendicular, with dihedral angles in the range 80.49?(8)-81.53?(8)°. There are only weak inter-molecular van der Waals inter-actions in the crystal.

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