Rayalexandersen8901

The fused-ring system in the title compound [systematic name 2-(2-oxo-2H-benzo[h]chromen-4-yl)acetic acid], C15H10O4, is almost planar (r.m.s. deviation = 0.031 Å) and the Car-C-C=O (ar = aromatic) torsion angle for the side chain is -134.4 (3)°. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, generating [100] C(8) chains, where the acceptor atom is the exocyclic O atom of the fused-ring system. The packing is consolidated by a very weak C-H⋯O hydrogen bond to the same acceptor atom. Together, these inter-actions lead to undulating (001) layers in the crystal.In the title compound, C11H6BrClO3, the benzo-pyran ring system is essentially planar, with a maximum deviation of 0.036 (2) Å for the O atom. The Cl and Br atoms are displaced by -0.0526 (8) and 0.6698 (3) Å, respectively, from the mean plane of this ring system. In the crystal, two pairs of weak C-H⋯O hydrogen bonds to the same acceptor O atom link mol-ecules into inversion dimers.The title compound (systematic name N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide), C16H22N4O3S, is a triazole herbicide. The dihedral angle between the planes of the triazole and benzene ring planes is 88.14 (10)°. In the crystal, C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions link adjacent mol-ecules, forming one-dimensional chains along the a axis.The title compound, C9H10O3, is a bioactive secondary metabolite, isolated from the endophytic fungus Nodulisporium sp. The compound exhibits an intra-molecular O-H⋯O hydrogen bond between the phenolic H atom and the carbonyl O atom of the adjacent acetyl group. In the crystal, mol-ecules are linked by hydrogen bonds involving the 4-phenolic H atom and a symmetry-related carbonyl O atom of a neighboring mol-ecule, resulting in extended supra-molecular chains along the a-axis direction. Aromatic π-π stacking inter-actions between the nearly parallel benzene rings of adjacent chains [centroid-centroid distance = 3.7478 (8) Å] further stabilize the three-dimensional supra-molecular framework.The title compound, C22H20O5, is composed of a hy-droxy-naphthyl ring and a tri-meth-oxy-phenyl ring [the planes of which are inclined to one another by 21.61 (10)°] bridged by an unsaturated prop-2-en-1-one group. The mean plane of the prop-2-en-1-one group [-C(=O)-C=C-] is inclined to that of the naphthyl system and benzene rings by 3.77 (14) and 18.01 (16)°, respectively. There is an intra-molecular O-H⋯O hydrogen bond present forming an S(6) ring motif. In the crystal, inversion-related mol-ecules are linked by a slipped-parallel π-π inter-action [inter-centroid distance = 3.8942 (13) Å, inter-planar distance = 3.478 (9) Å and slippage = 1.751 Å], and stack along the [101] direction. 2,2,2-Tribromoethanol nmr There are no other significant inter-molecular inter-actions present.In the title methanol-solvated salt, C14H19Cl3N5O2 (+)·Cl(-)·CH3OH, the triazine mol-ecule is protonated at one of the triazine N atoms. In the crystal, the triazine cations are linked through a pair of N-H⋯N hydrogen bonds, with graph-set R 2 (2)(8), forming an inversion dimer. The protonated N atom and the 2- and 4-amino groups of the triazine cation inter-act with the chloride anion through N-H⋯Cl hydrogen bonds, leading to the formation of a tape structure running along the b-axis direction. A short Cl⋯Cl contact [3.2937 (9) Å] is observed in the tape. The methanol mol-ecule is linked to the chloride anion and the triazine cation, respectively, by an O-H⋯Cl hydrogen bond and a C-H⋯O inter-action.In the title compound, C17H19NO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.0383 (28) Å, and the piperidine ring adopts a chair conformation. The 2H-chromene ring makes dihedral angles of 32.89 (16) and 67.33 (8)°, respectively, with the mean planes of the piperidine ring and the carbodi-thio-ate group. In the crystal, C-H⋯O and weak C-H⋯S hydrogen bonds link the mol-ecules into chains along [001]. The crystal structure also features C-H⋯π and π-π inter-actions, with a centroid-centroid distance of 3.7097 (17) Å.In the title compound, C22H18N2O4, the three fused rings of the pyrazolo-phthalazine moiety are coplanar (r.m.s. deviation = 0.027 Å). The cyclo-hexene ring fused to the pyrazolidine ring, so forming the indazolophthalazine unit, has a half-chair conformation. The benzene ring is almost normal to the mean plane of the pyrazolo-phthalazine moiety, with a dihedral angle of 87.21 (6)° between their planes. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds forming inversion dimers. The dimers are linked via C-H⋯π inter-actions, forming slabs parallel to (100). Between the slabs there are weak π-π inter-actions [shortest inter-centroid distance = 3.6664 (9) Å], leading to the formation of a three-dimensional structure.In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzo-furan [r.m.s. deviation = 0.025 (2) Å] and the 2-methyl-benzene rings is 87.87 (5)°. In the crystal, mol-ecules are linked into supra-molecular layers parallel to (0-11) by C-H⋯O hydrogen bonds and Br⋯Br [3.4521 (5) Å] contacts. These are connected into a three-dimensional architecture via C-H⋯π inter-actions, which link inversion-related mol-ecules into dimers, and π-π inter-actions between the benzene and furan rings [centroid-centroid distance = 3.573 (2) Å].In the title compound, C19H18FNO3S, the five-membered oxazolidine ring adopts an envelope conformation with the methine C atom of the fused bond as the flap. Its mean plane is oriented at a dihedral angle of 50.38 (1)° with respect to the fluoro-phenyl ring. The six-membered thio-pyran ring has a half-chair conformation and its mean plane is almost coplanar with the fused benzene ring, making a dihedral angle of 4.94 (10)°. The two aromatic rings are inclined to one another by 85.96 (11)°, and the mean planes of the oxazolidine and thio-pyran rings are inclined to one another by 57.64 (12)°. In the crystal, mol-ecules are linked by C-H⋯π inter-actions, forming a three-dimensional structure.The title compound, C10H12Cl3NTe, crystallizes with two crystallographically independent mol-ecules (A and B) in the asymmetric unit. In each case, the coordination around the Te atom is distorted square-pyramidal, with the equatorial plane composed of the three Cl atoms and the C atom of the pyridinium ring. The Te atom is displaced from the mean-square plane by 0.1926 (7) and 0.1981 (8) Å, in mol-ecules A and B, respectivly, away from the apical C atom. The bond lengths from the Te atom to the two Cl atoms arranged trans to each other [2.5009 (7)/2.5145 (7) and 2.5184 (7)/2.5220 (8) Å in mol-ecules A and B, respectivly] are substan-ti-ally shorter than the third Te-Cl distance [2.8786 (7) and 2.8763 (7) Å in mol-ecules A and B, respectivly]. The 1,3-tellurazole ring is almost planar (r.m.s. deviations of 0.042 and 0.045 Å in mol-ecules A and B, respectivly). The cyclopentane rings in both molecules A and B adopt envelope conformations with the carbon atom opposed to the (Te)C-C(N) bond as the flap. In the crystal, mol-ecules form centrosymmetric 2 + 2 associates via Te⋯Cl inter-actions [3.3993 (7) and 3.2030 (7) Å]. As a result of these secondary inter-actions, the Te atom attains a strongly distorted 5 + 1 octa-hedral environment. Further, the 2 + 2 associates are bound by weak C-H⋯Cl hydrogen bonds into a three-dimensional framework.The absolute structure of the title compound preaustinoid A1 [systematic name (5aR,7aS,8R,10S,12R,13aR,13bS)-methyl 10-hy-droxy-5,5,7a,10,12,13b-hexa-methyl-14-methyl-ene-3,9,11-trioxohexa-deca-hydro-8,12-methano-cyclo-octa-[3,4]benzo[1,2-c]oxepine-8-carboxyl-ate], C26H36O7, has been determined by resonant scattering using Cu Kα radiation [Flack parameter = 0.07 (15)]. The structure is consistent with that reported previously [Stierle et al. (2011). J. Nat. Prod. 74, 2272-2277], determined by detailed analysis of MS and NMR data. The mol-ecule consists of a fused four-ring arrangement. The seven-membered oxepan-2-one ring has a chair conformation, as do the central cyclo-hexane rings, while the outer cyclo-hexa-1,3-dione ring has a boat conformation. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds, forming helical chains propagating along [100].In the title compound, C17H17N O4S, the quinoline ring system is nearly planar, with a maximum deviation of 0.0496 (16) Å. A weak intra-molecular C-H⋯O inter-action is observed. In the crystal, C-H⋯O, S-H⋯N and π-π stacking inter-actions between the fused benzene ring of quinoline and the pyridine moieties [shortest centroid-centroid distance = 3.6754 (11) Å] are observed. Inversion-related weak C-H⋯O inter-molecular inter-actions diagonally along [010], with R 2 (2)(10) ring motifs, and S-H⋯N inter-molecular inter-actions diagonally along [100], with R 2 (2)(8) ring motifs, are present, forming a three-dimensional network structure. No classical hydrogen bonds are observed.The title compound, C13H13Cl2NO, has a 3-(propan-2-yl-idene)indolin-2-one core with a Cl atom and a chloro-ethyl substituent attached to the aromatic ring. Two atoms of the aromatic ring and the chloro-ethyl substituent atoms are disordered over two sets of sites with a refined occupancy ratio of 0.826 (3)0.174 (3). In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif.In the title mol-ecule, C11H13N3O, the propyl group is almost perpendicular to the quinazolin-4(3H)-one mean plane, making a dihedral angle of 88.98 (9)°. In the crystal, mol-ecules related by an inversion centre are paired via π-π overlap, indicated by the short distances of 3.616 (5) and 3.619 (5) Å between the centroids of the aromatic rings of neighbouring mol-ecules. Inter-molecular N-H⋯N and N-H⋯O hydrogen bonds form R 6 (6)(30) rings and C(5) chains, respectively, generating a three-dimensional network. Weak C-H⋯O inter-actions are also observed.The title compound [systematic name 3-(4-bromo-phen-yl)-1-meth-oxy-1-methyl-urea], C9H11BrN2O2, is a phenyl-urea herbicide. The dihedral angle between the plane of the urea group and that of the bromo-phenyl ring is 39.13 (10)°. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions link adjacent mol-ecules, forming chains along the a-axis direction. In addition, short inter-molecular Br⋯Br contacts [3.648 (4) Å] are present, resulting in a two-dimensional network extending parallel to (101).In the title compound systematic name 4-phen-oxy-phenyl (RS)-2-[(pyridin-2-yl)-oxy]propyl ether, C20H19NO3, which is a juvenile hormone mimic and insecticide, the dihedral angles between the plane of the central benene ring and those of the pendant pyridine ring and phenyl ring are 78.09 (6) and 82.14 (8)°, respectively. The conformation of the O-C-C-O linkage is gauche [torsion angle = -75.0 (2)°]. In the crystal, weak aromatic π-π stacking inter-actions [centroid-centroid separation = 3.8436 (13) Å] and C-H⋯π inter-actions link adjacent mol-ecules, forming a three-dimensional network.