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2-(Pyrene-1-yl)-1,3-dithiane.

ABSTRACT: In the title compound, C(20)H(16)S(2), the pyrene ring is planar [maximum deviation 0.0144 (15) Å] and the dithiane ring adopts a chair conformation. The crystal packing is stabilized by C-H⋯π inter-actions. An intra-molecular C-H⋯S hydrogen bond generates an S(5) ring motif.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2969099 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Methyl-2-(3-nitro-phen-yl)-1,3-dithiane.

Project description:The title compound, C(11)H(13)NO(2)S(2), contains a 1,3-dithiane ring in an almost ideal chair conformation with the following puckering parameters: Q = 0.7252?(15)?Å, ? = 6.71?(13) and ? = 50.4?(11)°. The benzene ring occupies an axial position at the dithiane ring. The nitro group is almost coplanar with the benzene ring [O-N-C-C = -3.2?(2)°]. The mol-ecule has an L-shape with a C-C-C-C torsion angle of -74.15?(17)° for the atoms of the methyl group and the dithiane-benzene linkage. The crystal packing is stabilized only via weak non-specific van der Waals inter-actions.

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Project description:In the title compound, C(13)H(15)NO(2)S(2), the nitro group is coplanar with the benzene ring to which it is attached, forming a dihedral angle of 1.07?(14)°. The dithiane ring adopts a chair conformation. In the crystal structure, mol-ecules are linked through C-H?O and C-H?? [C?Cg = 3.7164?(15)?Å] inter-actions. The crystal studied was an inversion twin with an 0.134?(5):0.866?(5) domain ratio.

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Project description:In the title compound, C(12)H(13)N(3)O(2), the dihedral angle between the oxazolone ring and the benzimidazole unit is 45.0?(5)°, exhibiting a staggered conformation at the C?-C? bond. In the crystal, a strong N-H?N hydrogen bond links the mol-ecules into a C(4) chain along the c axis while a C-H?O hydrogen-bonding inter-action generates a C(5) chain along the a axis, i.e. perpendicular to the other chain.

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1-[(5-Bromo-pent-yloxy)meth-yl]pyrene.

Project description:In the title compound, C(22)H(21)BrO, other than the Br atom, the non-H atoms are approximately co-planar [maxium deviation = 0.178?(2)?Å] and the alk-oxy chain shows an all-anti conformation. A weak inter-molecular C-H?Br hydrogen bond contributes to the stabilization of the crystal structure.

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