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N,N'-[1,3-Phenyl-enebis(methyl-ene)]di-p-toluenesulfonamide.

ABSTRACT: In the title compound, C(22)H(24)N(2)O(4)S(2), the dihedral angles between the central benzene ring and the pendant rings are 66.96 (13) and 69.37 (13)°. The torsion angles for the C-N-S-C fragments are -68.5 (3) and -72.6 (3)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds to generate infinite (001) sheets containing R(4) (4)(28) loops. A weak aromatic π-π stacking contact between one of the terminal benzene rings and its inversion-related partner is also observed [centroid-to-centroid separation = 3.796 (2) Å and slippage = 1.581 Å], as are two possible C-H⋯π contacts.

SUBMITTER: Ejaz

PROVIDER: S-EPMC3343931 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3,3'-Di-tert-butyl-1,1'-[1,3-phenyl-enebis(methyl-ene)]diurea.

Project description:The title compound, C(18)H(30)N(4)O(2), contains two tert-butyl urea groups, each connected to a benzene ring though a methyl-ene group. One of the groups occupies a position almost normal to the aromatic plane with a C-N-C-C torsion angle of -94.4?(4)°, while the other is considerably twisted from the ring with a C-N-C-C torsion angle of -136.1?(4)°. In the crystal, pairs of mol-ecules are connected to each other, forming centrosymmetric dimers in which two NH groups of one mol-ecule act as hydrogen-bond donors to one carbonyl O atom of the other mol-ecule. The dimers are linked into sheets parallel to (100) by N-H?O hydrogen bonds involving the remaining N-H and C=O groups.

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2,2'-Dichloro-N,N'-[1,3-phenyl-enebis(methyl-ene)]diacetamide.

Project description:The complete mol-ecule of the title compound, C(12)H(14)Cl(2)N(2)O(2), is generated by a crystallographic twofold axis with two C atoms of the central benzene ring lying on the axis. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains parallel to the c axis.

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4,4'-{[1,2-Phenyl-enebis(methyl-ene)]bis-(-oxy)}di-benzoic acid di-methyl-formamide disolvate.

Project description:In the title solvate, C22H18O6·2C3H7NO, the complete dicarboxylic acid molecule is generated by a crystallographic twofold axis, which bisects the central benzene ring and one N,N-di-methyl-formamide solvent mol-ecule. The dihedral angle between the central and pendant benzene rings is 54.53?(5)° while that between the pendant rings is 45.44?(5)°. In the crystal, the acid molecules are linked to the solvent molecules via O-H?O and weak C-H?O hydrogen bonds. Further weak C-H?O inter-actions link adjacent acid mol-ecules into a three-dimensional network.

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Project description:The title compound, C(10)H(12)N(2)O(4), is a phenyl dicarbamate with crystallographically imposed inversion symmetry. The dihedral angle between the carbamo-yloxy plane [i.e. the plane of the N-C(O)-O fragment; r.m.s. deviation = 0.002?(3)?Å] and the plane of the aryl ring is 29.2?(1)°. In the crystal, two different centrosymmetric N-H?O hydrogen-bond inter-actions are observed; these are described as R(2) (2)(8) and R(2) (4)(8) in graph-set notation. The rings form an alternating sequence, linking the mol-ecules into a sheet structure parallel to (011).

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Project description:The asymmetric unit of the title compound, C(24)H(22)O(4), contains one half-mol-ecule, the other half being generated by a crystallographic center of inversion. The central benzene ring makes a dihedral angle of 72.49?(5)° with the terminal benzene ring. In the crystal, adjacent mol-ecules are linked through C-H?O inter-actions, forming a sheet structure parallel to the bc plane. The sheets are stacked along the a axis via ?-? inter-actions formed between the terminal benzene rings [centroid-centroid separation = 3.7276?(6)?Å].

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N,N'-Diallyl-2,2',5,5'-tetra-chloro-N,N'-[1,3-phenyl-enebis(methyl-ene)]dibenzene-sulfonamide.

Project description:In the title compound, C(26)H(24)Cl(4)N(2)O(4)S(2), the dihedral angles between the central benzene ring and the pendant rings are 70.07 (12) and 59.07 (12)°. The equivalent angle between the pendant rings is 79.24 (12)°. Both sulfonamide groups lie to the same side of the central ring but the pendant chains have very different conformations, as indicated by their C-S-N-C torsion angles [104.66 (17) and -76.35 (19)°] and S-N-C-C torsion angles [129.61 (17) and 147.10 (17)°]. Both N atoms are close to planar (bond angle sums = 359.0 and 354.8°). In the crystal, inversion dimers are formed via a pair of weak C-H⋯O inter-actions which generate R(2) (2)(22) loops.

| S-EPMC3238937 | biostudies-literature

5-Cyano-1,3-phenyl-ene di-acetate.

Project description:In the title mol-ecule, C11H9NO4, the two acet-oxy groups are twisted from the plane of the benzene ring by 67.89?(4) and 53.30?(5)°. Both carbonyl groups are on the same side of the aromatic ring. In the crystal, weak C-H?O hydrogen bonds link mol-ecules into layers parallel to the ac plane. The crystal packing exhibits ?-? inter-actions between the aromatic rings, indicated by a short inter-centroid distance of 3.767?(3)?Å.

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Project description:The asymmetric unit of the title compound, C(20)H(28)N(4) (2+)·2Br(-), consists of half a 3,3'-di-n-propyl-1,1'-[p-phenyl-enenis(methyl-ene)]diimidazolium cation and a bromide anion. The cation is located on an inversion center and adopts an ?AAA? trans conformation. In the crystal, the cation is linked to the anions via weak C-H?Br hydrogen bonds.

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3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-benzimidazolium) dibromide.

Project description:In the title mol-ecular salt, C(26)H(28)N(4) (2+)·2Br(-), the central benzene ring makes dihedral angles of 76.75?(11) and 82.40?(10)° with the pendant benzimidazole rings. The corresponding angle between the benzimidazole rings is 57.03?(9)°. In the crystal, the cations and anions are linked via C-H?Br hydrogen bonds, forming sheets lying parallel to the bc plane. The crystal structure also features weak C-H?? inter-actions.

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