catena-Poly[[bis[quinazolin-4(3H)-one-κN 1]cadmium(II)]-di-μ-chlorido]

The asymmetric unit of the title compound, [CdCl2(C8H6N2O)2]n, consists of one mol­ecule of the 3H-quinazolin-4-one ligand, one Cd2+ cation, which is located on a twofold axis, and one chlorido ligand in a general position. The latter bridges metal cations, forming a one-dimensional polymer along the b axis. The Cd⋯Cd distance along the chain is 3.7309 (7) Å. The octa­hedral coordination around the metal is completed by two ligands in a trans axial geometry which coordinate through the N atom in 1 position. Moderately strong classical N—H⋯O hydrogen bonds around crystallographic inversion centers cross-link adjacent polymeric chains

Diaqua­dichloridobis[quinazolin-4(1H)-one-κN 3]copper(II)

In the title complex, [CuCl2(C8H6N2O)2(H2O)2], the CuII ion is located on an inversion center and is octahedrally coordinated by two N atoms of the 1H-quinazolin-4-one ligand, two chloride ligands and two aqua ligands. The axial Cu—O distances are significantly longer [2.512 (2) Å], than the Cu—N [2.022 (2) Å] and Cu—Cl [2.3232 (4) Å] distances as a result of Jahn–Teller distortion. Aqua ligands are involved in intra- and inter­molecular hydrogen bonding, and N—H⋯O inter­molecular hydrogen bonds are formed between the organic ligands. In addition, weak π–π inter­actions are observed between the benzene rings of the ligand [centroid–centroid distance = 3.678 (1) Å]

Diaqua­dichloridobis[quinazolin-4(1H)-one-κN 3]nickel(II)

In the title complex, [NiCl2(C8H6N2O)2(H2O)2], the NiII ion is located on an inversion center and is six-coordinated by two N atoms of 1H-quinazolin-4-one ligands, two chloride ions and two water mol­ecules. The water mol­ecules are involved in intra- and inter­molecular O—H⋯O and O—H⋯Cl hydrogen bonding. Inter­molecular N—H⋯O and N—H⋯Cl hydrogen bonds are formed between ligands. In addition, weak π–π inter­actions are observed between the benzene rings of the ligands [centroid–centroid distance = 3.580 (3) Å]. The inter­molecular hydrogen bonds and π–π inter­actions lead to the formation of a three-dimensional supra­molecular network

6,7,8,9,10,11-Hexahydro-13H-azocino[2,1-b]quinazolin-13-one

The title compound, C14H16N2O, is a synthetic analogue of quinazolone alkaloids with pyrrilo, pyrido and azopino rings. The quinazolinic part of the mol­ecule is generally planar within 0.037 (3) Å; the eight-membered ring exhibits an inter­mediate conformation between the chair and boat forms as it is typical for cyclo­octene rings. An ethyl­ene group of the azopino ring is disordered over two positions with a refined occupancy ratio of 0.910 (7):0.090 (7). In the crystal, the H atoms of the aromatic rings form weak C—H⋯O and C—H⋯N hydrogen bonds. One C—H⋯O hydrogen bond leads to the formation of a one-dimensional chain. Another C—H⋯O and a C—H⋯N bond link these chains, generating a three-dimensional network

2-{2-[2-(1,3-Dioxoisoindol-2-yl)eth­oxy]eth­yl}isoindole-1,3-dione

In the mol­ecule of the title compound, C20H16N2O5, the phthalimide fragments are almost planar, with r.m.s. deviations of 0.018 and 0.020 Å, and make a dihedral angle of 53.64 (3)°. The mol­ecular and crystal structures are stabilized by a weak inter­molecular C—H⋯O, C—H⋯π and C=O⋯π [2.883 (1) Å] inter­actions and aromatic π–π stacking inter­actions with a centroid–centroid distance of 3.6189 (7) Å

2,3-Dihydro­pyrrolo­[2,1-b]quinazoline-9(1H)-thione

In the crystal, mol­ecules of the title compound, C11H10N2S, are connected by C—H⋯N inter­actions around threefold axes. Furthermore, they form stacks along the c axis showing π–π inter­actions between pyrimidine rings [centroid–centroid distance = 3.721 (1) Å]. The central ring is essentially planar with an r.m.s. deviation of 0.007 Å. The five-membered ring adopts an envelope conformation with the flap atom deviating by 0.241 (4) Å from the mean plane (r.m.s. deviation = 0.002 Å) through the other four ring atoms

11-(2-Oxopyrrolidin-1-ylmeth­yl)-1,2,3,4,5,6,11,11a-octa­hydro­pyrido[2,1-b]quinazolin-6-one dihydrate

In the crystal structure of the title compound, C17H21N3O2·2H2O, water mol­ecules are mutually O—H⋯O hydrogen bonded and form infinite chains propagating along the b axis. Neighboring chains are linked by the quinazoline mol­ecules by means of O—H⋯O=C hydrogen bonds, forming a two–dimensional network

Математическое моделирование зажигания растительного покрова в результате разрыва газопровода

В данной работе представлена математическая модель и численные результаты зажигания полога леса в результате разрыва газопровода с образованием "огненного шара" с учетом структурных особенностей и характеристик лесного горючего материала, а также особенности среды, в которой происходит тепловое излучение. Проблема взрывов в нефтехимической промышленности с образованием ОШ является сегодня актуальной для многих стран, включая и РФ. Разработана компьютерная программа, которая используется для определения безопасных расстояний от объектов повышенной опасности (ОПО).This paper presents a mathematical model and results of calculations of the ignition of forest canopy as a result of the gas pipeline rupture with the formation of a fireball taking into account the structural features and characteristics of forest fuel material, as well as the features of the environment in which thermal radiation occurs. The problem of explosions in the petrochemical industry with the formation of the Fire Ball is relevant for many countries now, including the Russian Federation. A computer program has been developed that is used to determine the safe distances from high-risk objects

(E)-3-Propoxymethyl­idene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one monohydrate

The title compound, C15H16N2O2·H2O, was synthesized via the alkyl­ation of 3-hydroxy­methyl­idene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one with n-propyl iodide in the presence of sodium hydroxide. The organic mol­ecule and the water mol­ecule both lie on a crystallographic mirror plane. In the crystal structure, inter­molecular O—H⋯O and O—H⋯N hydrogen bonds link the components into extended chains along [100]

3-Benzyl-6-(2-chloro­benzo­yl)-1,3-benzoxazol-2(3H)-one

In the title compound, C21H14ClNO3, the benzoxazolone ring system is planar (r.m.s. deviation = 0.022 Å) and forms dihedral angles of 75.38 (10) and 65.92 (13)° with the mean planes of the chloro­benzoyl (r.m.s. deviation = 0.045 Å, excluding O atom) and benzyl (r.m.s. deviation = 0.023 Å) groups. The observed structure is stabilized by weak C—H⋯O hydrogen bonds and weak inter­molecular C—H⋯π inter­actions