259 research outputs found
6-Chloro-3-[5-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-4-phenylquinoline
In the title compound, C31H23ClFN3, the pyrazole ring forms dihedral angles of 72.75 (7), 18.08 (9) and 86.26 (9)° with the quinoline ring system, the phenyl ring and the fluorophenyl ring, respectively. In the crystal, intermolecular C—H⋯N hydrogen bonds link the molecules into chains propagating along the c axis. The crystal structure is further stabilized by C—H⋯π interactions
1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one
In the title compound, C20H21ClN2O2, the benzene rings form dihedral angles of 6.35 (5) and 81.82 (5)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.145 Å). This latter ring adopts an envelope conformation with the CH grouping as the flap. The dihedral angle between the benzene rings is 75.63 (4)°. In the crystal, molecules are linked by C—H⋯Cl and C—H⋯O hydrogen bonds into chains along [-201]. The crystal structure also features C—H⋯π interactions
Ethyl 6-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
In the title compound, C22H21ClO4, the cyclohex-3-ene unit adopts an envelope conformation in both independent molecules comprising the asymmetric unit. The two benzene rings are inclined to each other at a dihedral angle of 82.03 (5)° [86.37 (5)°]. In the crystal, the molecules interact via C—H⋯O, C—H⋯Cl and C—H⋯π interactions
Opipramol
In the title compound (systematic name: 2-{4-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethanol), C23H29N3O, the 5H-dibenz[b,f]azepine and piperazine rings adopt boat and chair conformations, respectively, and the overall shape of the fused ring part of the molecule is a butterfly. In the crystal, O—H⋯N and C—H⋯O hydrogen bonds link the molecules into a layer parallel to the bc plane
A cocrystal of 3α-hydroxytirucalla-8,24-dien-21-oic acid and 3β-fluorotirucalla-7,24-dien-21-oic acid (0.897:0.103)
The title compound, 0.897C30H48O3.0.103C30H47O2F is a co-crystal of two triterpenes isolated from the resin of Canarium schweinfurthiiand Engl. Both triterpenes consists of four trans-fused rings having chair/half-chair/half-chair and envelope conformations. The molecular conformations are stabilized by intramolecular C—H⋯O hydrogen bonds, forming rings of S(7) graph-set motif. In the crystal, molecules are linked by intermolecular O—H⋯O and C—H⋯O interactions, forming sheets parallel to (001). All atoms. excepting the axially-oriented hydroxyl group in the major component and the equatorially-oriented fluorine atom in the minor component, are overlapping
3α-Hydroxytirucalla-8,24-dien-21-oic acid
The title compound, C30H48O3, a triterpene isolated from the resin of canarium schweinfurthiiand, is an isomer of the previously reported triterpene 3α-hydroxytirucalla-7,24-dien-21-oic acid [Mora et al. (2001 ▶). Acta Cryst. C57, 638–640], which crystallizes in the same trigonal space group. The title molecule consists of four fused rings having chair, half-chair, half-chair and envelope conformations for rings A, B, C and D, respectively (steroid labelling). An intramolecular C—H⋯O hydrogen bond generates an S(7) ring. In the crystal, molecules are linked by O—H⋯O and C—H⋯O interactions, forming (001) sheets
3,5-Diamino-4H-1,2,4-triazol-1-ium (6-carboxypyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate
In the complex anion of the title compound, (C2H6N5)[Cu(C7H4NO4)(C7H3NO4)]·3H2O, the CuII atom is coordinated by tridentate 6-carboxypyridine-2-carboxylate and pyridine-2,6-dicarboxylate ligands and is surrounded by four O atoms in the equatorial plane and two N atoms in axial positions in a distorted octahedral geometry. In the crystal, the components are linked into a three dimensional network by O—H⋯O, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds and a π–π interaction with a centroid–centroid distance of 3.6080 (8) Å
N-(2,6-Dichlorophenyl)-2-(naphthalen-1-yl)acetamide
In the title compound, C18H13Cl2NO, the naphthalene ring system and the benzene ring form dihedral angles of 74.73 (13) and 62.53 (16)°, respectively, with the acetamide grouping [maximum deviation = 0.005 (3) Å]. The naphthalene ring system forms a dihedral angle of 75.14 (13)° with the benzene ring. In the crystal, molecules are linked by N—H⋯O hydrogen bonds, forming C(4) chains propagating in [010]. The O atom also accepts two C—H⋯O interactions
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