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2,5-Dimethyl-hexane-2,5-diyl bis-(4-nitro-phen-yl) dicarbonate.

ABSTRACT: The title structure, C(22)H(24)N(2)O(10), contains two independent centrosymmetric mol-ecules. The only significant difference between the mol-ecules is the dihedral angle between the unique carbonate group (-O-CO(2)-) and the benzene ring, the values being 77.35 (8) and 66.42 (8)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Nawazish Ali S

PROVIDER: S-EPMC2960943 | biostudies-literature |

REPOSITORIES: biostudies-literature

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trans-Cyclo-hexane-1,4-diyl bis-(4-nitro-phen-yl) dicarbonate.

Project description:In the title crystal structure, C(20)H(18)N(2)O(10), there are two independent mol-ecules, both of which lie on crystallographic inversion centres. In one mol-ecule the 4-nitro-phenyl dicarbonate groups are substituted in equatorial (A(eq)) positions of the chair-form cyclo-hexane ring while in the other mol-ecule the substitution is axial (B(ax)). The dihedral angles between the atoms of the symmetry-unique carbonate group (O=CO(2)-) and benzene ring for each mol-ecule are 47.3?(1)° for A(eq) and 11.7?(2)° for B(ax). In B(ax), this facilitates the formation of a weak intra-molecular C-H?O hydrogen bond, while the packing is stabilized by weak inter-molecular C-H?O inter-actions.

| S-EPMC2915335 | biostudies-other

trans-Cyclo-hex-2-ene-1,4-diyl bis-(4-nitro-phen-yl) dicarbonate.

Project description:Although the title mol-ecule, C(20)H(16)N(2)O(10), does not possess mol-ecular inversion symmetry, it lies on a crystallographic inversion centre which imposes disorder on the central cyclo-hexene ring. In addition, the cyclo-hexene ring has non-symmetry-related disorder over two sites, with the ratio of the major and minor components being 0.54:0.46. The overall effect is to produce four disorder components for the atoms of the cyclo-hexene ring. The side chain is perfectly ordered and the dihedral angle between the atoms of the carbonate group (O=CO(2)-) and the benzene ring is 72.99?(6)°.

| S-EPMC2915334 | biostudies-literature

Bis(4-nitro-phen-yl) 1,3-phenyl-ene-dimethyl-ene dicarbonate.

Project description:In the title mol-ecule, C(22)H(16)N(2)O(10), the dihedral angles between the benzene rings of the 4-nitro-phenyl groups and the central benzene ring are 32.7?(1) and 34.7?(1)°, while the dihedral angle between the two benzene rings of the 4-nitro-phenyl groups is 3.6?(2)°. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into centrosymmetric dimers.

| S-EPMC2960894 | biostudies-other

N-(2,5-Dimethyl-phen-yl)-2-nitro-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C14H14N2O4S, the N-H bond is syn to the ortho-nitro group in the sulfonyl benzene ring and anti to the ortho- and syn to the meta-methyl groups in the aniline ring. The mol-ecule is twisted at the S-N bond with a torsion angle of 71.41 (18)°. The dihedral angle between the planes of the benzene rings is 51.07 (8)°. In the crystal, pairs of N-H⋯Osulfonamide hydrogen bonds link the mol-ecules into inversion dimers.

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(±)-Cyclo-hexane-1,2-diyl bis-(4-nitro-benzoate).

Project description:The crystal structure of the title compound, C(20)H(18)N(2)O(8), has been investigated to establish the relative stereochemistry between the ester groups. The cyclo-hexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship with each other. The mol-ecules assemble in the crystal as chains along the c axis via C-H⋯π inter-actions between the cyclo-hexane ring and a pair of nitro-phenyl rings of the neighbouring mol-ecule. Also observed are π-π stacking inter-actions between the nitro-phenyl rings of neighbouring chains, with a perpendicular distance between these rings of 3.409 Å and a slippage of 0.969 Å.

| S-EPMC2959677 | biostudies-literature

1,4-Dihex-yloxy-2,5-bis-(2-nitro-phen-yl)benzene.

Project description:The title compound, C(30)H(36)N(2)O(6), was prepared via twofold Suzuki coupling of a diboronic acid with bromo-nitro-benzene. The mol-ecule is located on a crystallographic inversion centre. The lateral benzene ring and the central ring make a dihedral angle of 48.75 (14)° and the nitro group is twisted by 41.47 (13)° out of the plane of the benzene ring. The nitro and hex-yloxy groups are in close proximity and the hex-yloxy chain adopts an all-anti conformation.

| S-EPMC3343986 | biostudies-literature

(2E)-1-(2,5-Dimethyl-thio-phen-3-yl)-3-(3-nitro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(13)NO(3)S, the benzene ring and the five-membered heterocyclic ring are oriented at a dihedral angle of 12.00 (6)°. In the crystal, C-H⋯O inter-actions generate two types of cyclic motifs, R(2) (2)(14) and R(2) (2)(26), connecting the mol-ecules into tapes extending along [101]. In addition, there are π-π stacking inter-actions between the benzene and thio-phene rings with centroid-centroid distances of 3.7263 (14) and 3.7487 (14) Å.

| S-EPMC3238980 | biostudies-literature

Dimethyl 2,5-bis-(5-hexyl-thio-phen-2-yl)benzene-1,4-dioate.

Project description:In the title compound, C(30)H(38)O(4)S(2), the centroid of the benzene ring lies on a center of inversion. The thio-phene ring is aligned at 49.8 (1)° with respect to the benzene ring. The alkyl chain adopts an extended zigzag conformation.

| S-EPMC3089346 | biostudies-literature

2,5-Bis[4-(dimethyl-amino)-phen-yl]-3,6-dimethyl-pyrazine.

Project description:The title compound, C(22)H(26)N(4), was prepared from p-dimethyl-amino-propiophenone in six steps. The mol-ecule has no crystallographic symmetry. The dihedral angles between the pyrazine ring and the phenyl rings are 35.81?(6) and 37.11?(8)°. The dimethyl-amino groups are essentially planar (sum of the bond angles at N = 359.3 and 359.9°) and nearly coplanar with the adjacent aromatic ring [dihedral angles = 5.54?(11) and 7.40?(3)°]. This effect and the short aniline C-N bonds can be rationalised in terms of charge transfer from the amino groups to the central pyrazine ring.

| S-EPMC3120404 | biostudies-other

Bis(?-4-nitro-2-{[2-(oxidometh-yl)phen-yl]imino-meth-yl}phenolato)bis-[chlorido(dimethyl sulfoxide)-iron(III)] dimethyl sulfoxide disolvate.

Project description:In the centrosymmetric dimeric title complex, [Fe(2)(C(14)H(10)N(2)O(4))(2)Cl(2)(C(2)H(6)OS)(2)]·2C(2)H(6)OS, two {Fe(L)Cl(DMSO)} units (L is the tridentate ligand 4-nitro-2-{[2-(oxidometh-yl)phen-yl]imino-meth-yl}phenolate; DMSO is dimethyl sulfoxide) are bridged by two O atoms, with an Fe?Fe separation of 3.1838?(8)?Å. The coordination polyhedron of the Fe(III) atoms can be described as distorted octa-hedral, with four Fe-O, one Fe-N and one Fe-Cl coordination bonds. The L ligand is not planar, the dihedral angle between the 2-(oxidometh-yl)phen-yl]imino and 4-nitro-2-(imino-meth-yl)phenolate planes being 48.54?(9)°. The solvent DMSO molecule is disordered over two orientations with equal occupancy.

| S-EPMC3344389 | biostudies-literature

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