Bilin Conformation, Phycocyanin, Phycoerythrin, Phytochrome Ramachandran-type calculations are performed for conformations of bilin chromophores pres­ ent in the biliproteins phycocyanin, phycoerythrin and phytochrome. The atomic coordinates are taken from x-ray data of crystalline model compounds, namely biliverdin for pyrrole rings B, C, D and substituted succinimides for the hydrogenated rin...

gepirone, ipsapirone, tandospirone and others) are 1arylpiperazine derivatives with a high affinity to the 5HT1A receptor (1-3). Therefore, they are widely used in the treatment of psychotic and neurotic disorders. This paper is a continuation of our research in the field of 4aryl/heteroaryl piperazinylalkyl derivatives (4, 5) of 1(1H-pyrrole-1-ylmethyl)-10-oxa-azatricyclo[5.2.1.0] dec-8-ene-3,...

Electrical sensitivity of a beryllium oxide nanotube (BeONT) was examined toward (C4H5N) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31(d) level, and it was found that the adsorption energy (Ead) of pyrrole on the pristine nanotubes is   a bout -48.58kcal/mol. But when nanotubes has been doped with S and P atomes , the adsorptio...

Calix[4]pyrroles having extended aromatic cavities have been functionalized with 4 ureas in the para position of their meso phenyl substituents. This elaboration of the upper rim was completed in 2 synthetic steps starting from the alpha,alpha,alpha,alpha-tetranitro isomer of the calix[4]pyrrole obtained in the acid catalyzed condensation of p-nitrophenyl methyl ketone and pyrrole. In dichlorom...

Imidazole is a planar, five membered heteroaromatic molecule with pyrrole type and pyridine type annular nitrogens. Several approaches are available of imidazoles from alpha halo ketones, aminonitrile, aldehyde ect. Reactivity of imidazole and benzimidazole is referred from sets of  resonance structure in which the dipolar contributors have finite importance. Imidazoles among the principal grou...

Coal is a major contributor to the global emission of nitrogen oxides (NOx). The NOx formation during coal utilization typically derives from the thermal decomposition of N-containing compounds (e.g., pyrrolic groups). NH₃ and HCN are common precursors of NOx from the decomposition of N-containing compounds. The existence of H₂O has significant influences on the pyrrole decomposition and NOx fo...

We explore a new approach to organic ferroelectric diodes using a benzene-tricarboxamide (BTA) core connected with C10 alkyl chains to pyrrole groups, which can be polymerized to provide a semiconducting ferroelectric material. The compound possesses a columnar hexagonal liquid crystalline (LC) phase and exhibits ferroelectric switching. At low switching frequencies, an additional process occur...

The title mol-ecule, C(30)H(28)N(2)O(4), has crystallographic twofold rotation symmetry, with the pyrrole planes forming a dihedral angle of 40.49 (4)°. The pyrrole N-H donor and adjacent ester carbonyl acceptor form R(2) (2)(10) hydrogen-bonded rings about inversion centers, leading to chains of hydrogen-bonded mol-ecules along [001].

N-Vinylpyrroles and -indoles bearing electron-withdrawing substituents at the pyrrole ring are mercurated, with 1 equivalent of Hg(OAc)(2) in dry MeCN (20-80 °C), regioselectively at the vinyl group (yields are almost quantitative), while their congeners without electron-withdrawing functions are mercurated both at the N-vinyl group and the pyrrole ring.

In the title compound, C(32)H(40)N(4)O(4), the pyrrole rings and ester groups adopt a 1,3-alternate conformation in which the alternating pyrrole and ester units are in opposite directions. The structure displays N-H⋯O hydrogen bonding and exhibits disorder [site occupancies of 0.81(2) and 0.71(2)] in the peripheral ethyl groups.