3,760 research outputs found
6-Chloro-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
In the title compound, C19H17ClN2O3, the conformation about the ethylene bond [1.333 (2) Å] is E. The ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.032 Å) and their mean plane forms a dihedral angle of 13.89 (7)° with the terminal phenyl ring; the molecule has an open conformation as these substituents are directed away from each other. In the crystal, centrosymmetrically related molecules are connected via N—H⋯O hydrogen bonds between the amide groups, leading to eight-membered {⋯HNCO}2 synthons. These are consolidated into a three-dimensional architecture by C—H⋯O, C—H⋯π and π–π interactions [ring centroid(N2C4)⋯centroid(C6) distance = 3.5820 (11) Å]
4-Benzyl-N-methylpiperazine-1-carbothioamide
The asymmetric unit in the title thiourea derivative, C13H19N3S, comprises three independent molecules (A, B and C). The thiourea groups are superimposable for the three molecules, but there are significant conformational differences. Molecules A and B are approximate mirror images of each other, and molecule C has an intermediate conformation. The dihedral angles between the thiourea groups and the phenyl rings are 52.10 (5), 63.29 (5) and 66.46 (6)° in molecules A, B and C, respectively. Each independent molecule self-associates into a supramolecular chain along [100] via N—H⋯S hydrogen bonds. Molecules of A and B assemble into layers four molecules thick in the ac plane via C—H⋯S and C—H⋯π interactions. Molecules of C self-assemble into layers in the ac plane via C—H⋯S interactions. The layers stack along the b axis with no specific interactions between them
2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
The title molecule, C18H19N3O3, lies on a mirror plane that bisects the adamantyl group. In the crystal, C—H⋯O and C—H⋯N interactions lead to supramolecular chains along [100]. These assemble into layers in the ab plane via π–π interactions [centroid–centroid distance = 3.6548 (7) Å] between the oxadiazole and benzene rings
Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5
C18H18N4O5, monoclinic, P21/c (no. 14), a = 11.7553(8) Å, b = 6.4876(4) Å, c = 22.3442(15) Å, β = 91.263(7)°, V = 1703.64(19) Å3, Z = 4, Rgt (F) = 0.0531, wRref (F 2) = 0.1376, T = 160 K.
CCDC no.: 2173380
The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters
Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S
C14H12N4O3S, monoclinic, P21/n (no. 14), a = 12.2777(3) Å, b = 9.4312(2) Å, c = 12.9412(2) Å, β = 107.945(2)°, V = 1425.61(5) Å3, Z = 4, R gt (F) = 0.0305, wR ref (F 2) = 0.0837, T = 160 K.
CCDC no.: 2059188
The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters
Crystal structure of 4-chloro-<i>N</i>′-[(1<i>E</i>)-pyridin-3-ylmethylidene]benzohydrazide, C<sub>13</sub>H<sub>10</sub>ClN<sub>3</sub>O
C13H10ClN3O, monoclinic, P21/c (no. 14), a = 19.0933(2) Å, b = 23.0910(3) Å, c = 10.6831(2) Å, β = 90.064(1)°, V = 4710.00(12) Å3, Z = 16, R gt (F) = 0.0411, wR ref (F 2) = 0.1081, T = 160 K. CCDC no.: 223377
Crystal structure of 4-chloro-<i>N</i>′-[(1<i>E</i>)-(2-nitrophenyl)methylidene]benzohydrazide, C<sub>14</sub>H<sub>10</sub>ClN<sub>3</sub>O<sub>3</sub>
C14H10ClN3O3, triclinic, P1 (no. 1), alpha = 4.8813(2) angstrom, b = 6.7806(2) angstrom, c = 10.3135(2) angstrom, alpha = 98.101( 2)degrees, ss = 94.174( 2)degrees,gamma= 97.612( 3)degrees, V = 333.515(18) angstrom(3), Z = 1, R-gt(F) = 0.0270, wR(ref) (F-2 )= 0.0743, T = 160 K
A Challenging Combination: Anomalous Left Anterior Descending Coronary Artery, Myocardial Bridging, and Endothelial Dysfunction
50 years old female patient with a medical history of hypertension presented to the clinic with chest pain, palpitations, and dyspnea on exertion of 2 years duration. Extensive workup in search of the culprit etiology of her chest pain revealed a challenging combination of an anomalous left anterior descending artery with myocardial bridging and endothelial dysfunction. She was treated medically with long acting nitrates, L-arginine and calcium channel blockers, and remains asymptomatic after 12 months of follow up
5-Methoxy-2-[(5-methoxy-1H-indol-1-yl)carbonyl]-1H-indole
The asymmetric unit of the title compound, C19H16N2O3, comprises three independent molecules (A, B and C). The inversion-related molecule of A is virtually superimposable upon the other two molecules. In each molecule, there is a twist in the link between the approximately syn carbonyl and amine groups [the N—C—C—O torsion angles range from 19.73 (19) to −21.2 (2)°]. Each molecule has a bent shape quantified in terms of the dihedral angle between the indole and indole fused-ring systems [range = 45.69 (5)–47.91 (5)°]. In the crystal, the A and B molecules form dimeric aggregates via ten-membered {⋯HNC2O}2 synthons, while the C molecules self-associate similarly but about a centre of inversion
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