In the title compound, C26H18Cl2N2O5S, the carbazole ring system is essentially planar with a maximum deviation of 0.0498 (16) Å for the N atom. The carbazole ring system is almost orthogonal to the phenyl-sulfonyl and di-chloro-substituted nitro-phenyl rings, making dihedral angles of 84.23 (7) and 85.46 (12)°, respectively. The mol-ecular structure features intra-molecular C-H⋯O inter-actions...

The mol-ecule of the title compound, C(14)H(8)I(2), an inter-mediate in the synthesis of organic materials, is nearly planar, the maximum deviation from the mean plane being 0.032 (1) Å for the C atoms and 0.082 (2) Å for the I atoms. In the crystal structure, a sandwich-herringbone arrangement of mol-ecules is observed, whereas a columnar π-stacking arrangement has been reported for the chlori...

Unlike its other halogen atom siblings, the utility of chlorinated arenes and (hetero)arenes are twofold: they are useful in tuning electronic structure as well as acting as points for diversification via cross-coupling. Herein we report the invention of a new guanidine-based chlorinating reagent, CBMG or "Palau'chlor", inspired by a key chlorospirocyclization en route to pyrrole imidazole alka...

The 1,1,2,2-tetracyanocyclopropane (TCCP) unit presents a synthetically accessible and versatile synthon that can interact with lone-pair or π-electrons by 'non-covalent carbon bonding'. Complexes of TCCP with common small molecules, anions, aromatics like fullerenes, amino acids and nucleobases were computed at the DFT BP86-D3/def2-TZVP level of theory. Binding energies vary between about -10 ...

In the title compound, C(29)H(29)ClN(2)O(7), the isoxazole and dioxolane rings adopt envelope conformations, and the furan ring adopts a twisted conformation. The crystal structure is stabilized by inter-molecular C-H⋯π inter-actions between a benz-yloxy methyl-ene H atom and the 4-chloro-phenyl ring of an adjacent mol-ecule, and by weak non-classical inter-molecular C-H⋯O hydrogen bonds. In ad...

We report the syntheses and characterization of three solution-processable phen-oxy silicon phthalocyanines (SiPcs), namely bis-(3-methyl-phen-oxy)(phthalocyanine)silicon [(3MP)2-SiPc], C46H30N8O2Si, bis-(2-sec-butyl-phen-oxy)(phthalocyanine)silicon [(2secBP)2-SiPc], C44H24I2N8O2Si, and bis-(3-iodo-phen-oxy)(phthalocyanine)silicon [(3IP)2-SiPc], C52H42N8O2Si. Crystals grown of these compounds w...

Amide carbonyl groups in proteins can engage in C═O···C═O and C-X···C═O interactions, where X is a halogen. The putative involvement of four poles suggests that these interactions are primarily dipolar. Our survey of crystal structures with a C-X···C═O contact that is short (i.e., within the sum of the X and C van der Waals radii) revealed no preferred C-X···C═O dihedral angle. Moreover, we fou...

In the title compound, C15H10ClFO2S, the dihedral angle between the mean planes of the benzo-furan ring [r.m.s. deviation = 0.007 (1) Å] and the 2-fluoro-phenyl ring is 32.53 (5)°. In the crystal, mol-ecules related by inversion are paired into dimers via two different C-H⋯O hydrogen bonds. Further, Cl⋯O halogen bonds [3.114 (1) Å], and F⋯π [F-to-furan-centroid distance = 3.109 (1) Å] and S⋯F [...

Treatment of the [AuCl(tetrahydrothiophene)] complex with 4-chloro-2-iodo-1-isocyanobenzene furnished gold(I) compound [AuCl(CNC6H3-4-Cl-2-I)] (1). In crystal structure 1, linear C–Au–Cl group is subject to solid-state head-to-tail pairing, which determined by aurophilic Au⋯Au and rare π-holeCN⋯Cl interactions. These two types structure-determining interactions are complementary each other, sys...