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

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    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

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    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

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    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

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    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

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    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

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    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>

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    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

    (11 R

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    A Challenging Combination: Anomalous Left Anterior Descending Coronary Artery, Myocardial Bridging, and Endothelial Dysfunction

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    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

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    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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