N-{(2RS)-2-Hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}propanaminium chloride

2006 ◽  
Vol 62 (5) ◽  
pp. o1694-o1695
Author(s):  
Massimo Bambagiotti-Alberti ◽  
Bruno Bruni ◽  
Ferdinando Costantino ◽  
Massimo Di Vaira ◽  
Valerio Giannellini
Keyword(s):  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Antiarrhythmic Drug ◽  
Sodium Transport ◽  
Title Compound ◽  
Crystal Packing ◽  
Chloride Ion

The title compound, propafenone hydrochloride, C21H28NO3 +·Cl−, is a potent antiarrhythmic drug, which acts by blocking channels for sodium transport across cell borders. The crystal packing is essentially controlled by a system of hydrogen bonds involving the quaternary N atom, the (disordered) hydroxy group and the chloride ion.

Lupeol

2009 ◽  
Vol 65 (3) ◽  
pp. o97-o99 ◽  
Author(s):  
Rodrigo S. Corrêa ◽  
Carla P. Coelho ◽  
Marcelo H. dos Santos ◽  
Javier Ellena ◽  
Antônio C. Doriguetto
Keyword(s):  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Biological Properties ◽  
Membered Ring ◽  
Van Der Waals Interactions ◽  
Helical Chain ◽  
Pentacyclic Triterpene

The title compound [systematic name: 3β-lup-20(29)-en-3-ol], C30H50O, was isolated from the leaves ofGarcinia brasiliensis(common name: bacupari; a member of the Guttiferae family) and has been shown to have many useful medicinal and biological properties. The lupeol molecule consists of four six-membered rings (adopting chair conformations) and one five-membered ring (with an envelope conformation), all fused intransfashion. Lupeol is isomorphic with the pentacyclic triterpene 3β,30-dihydroxylup-20(29)-ene, which differs from lupeol due to the presence of an additional hydroxy group. The crystal packing is stabilized by van der Waals interactions and intermolecular O—H...O hydrogen bonds, giving rise to an infinite helical chain along thecaxis.

scholarly journals 3-(Adamantan-1-yl)-4-benzyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (7) ◽  
pp. o766-o767 ◽  
Author(s):  
Fatmah A. M. Al-Omary ◽  
Hazem A. Ghabbour ◽  
Ali A. El-Emam ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Triazole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Supramolecular Chains

The title compound, C19H23N3S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 Å) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers that encloseR22(8) loops. The crystal packing is further stabilized by weak C—H...π interactions that link adjacent dimeric units into supramolecular chains extending along thea-axis direction.

scholarly journals N′-(3-Hydroxybenzylidene)-4-methylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1816-o1816
Author(s):  
Ji-Lai Liu ◽  
Ming-Hui Sun ◽  
Jing-Jun Ma
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C15H14N2O2, was obtained from the reaction of 3-hydroxybenzaldhyde and 4-methylbenzohydrazide in methanol. In the molecule, the benzene rings form a dihedral angle of 2.9 (3)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into layers parallel to (101). The crystal packing also exhibits π–π interactions between the aromatic rings [centroid–centroid distance = 3.686 (4) Å].

Ethylammonium saccharinate

2006 ◽  
Vol 62 (5) ◽  
pp. o1800-o1801
Author(s):  
Zi-Liang Wang ◽  
Lin-Heng Wei ◽  
Ming-Xue Li ◽  
Jing-Ping Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Framework Structure ◽  
Compound C

The asymmetric unit of the title compound, C2H8N+·C7H4NO3S−, contains a saccharinate anion and a protonated ethylamine cation. Intermolecular N—H...O hydrogen bonds link these ions into a two-dimensional framework structure. The crystal packing is further stabilized by weak intermolecular C—H...O hydrogen bonds

Undecacarbonyl(pyridine-κN)-tetrahedro-tetrairidium(4Ir—Ir)

2006 ◽  
Vol 62 (4) ◽  
pp. m838-m840 ◽  
Author(s):  
Alvaro J. Pardey ◽  
Manoa A. Moreno ◽  
Matthias Lutz ◽  
Matti Haukka ◽  
Reinaldo Atencio
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Triple Bond ◽  
Crystal Packing ◽  
Pyridine Molecule ◽  
Carbonyl Groups ◽  
Carbonyl Ligands

The title compound, [Ir4(C5H5N)(CO)11], shows a tetrahedral Ir4 core in which each Ir atom is linked to three other Ir atoms and three terminal carbonyl groups, except for one Ir atom, which carries two carbonyl ligands and one N-coordinated pyridine molecule. An intricate set of C—H...π hydrogen bonds stabilizes the crystal packing, where the π-systems are those of the C[triple-bond]O bonds of the carbonyl ligands.

1-Benzoyl-3-(4-chlorophenyl)thiourea

2006 ◽  
Vol 62 (4) ◽  
pp. o1419-o1420 ◽  
Author(s):  
M. Khawar Rauf ◽  
Amin Badshah ◽  
Ulrich Flörke ◽  
Aamer Saeed
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C

In the crystal structure of the title compound, C14H11ClN2OS, the dihedral angle between the two aromatic ring planes is 43.93 (6)°. The crystal packing shows dimers formed by intermolecular N—H...S hydrogen bonds which are stacked along [100].

scholarly journals Diaquabis(2,2′-bi-1H-imidazole)manganese(II) benzene-1,4-dicarboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. m829-m829
Author(s):  
Lining Yang ◽  
Yanxiang Zhi ◽  
Jiahui Hei ◽  
Yanqing Miao
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Mn(C6H6N4)2(H2O)2](C8H4O4), contains one-half each of the centrosymmetric cation and anion. The MnII atom is coordinated by four N atoms [Mn—N = 2.2168 (14) and 2.2407 (14) Å] from two 2,2′-biimidazole ligands and two water molecules [Mn—O = 2.2521 (14) Å] in a distorted octahedral geometry. Intermolecular N—H...O and O—H...O hydrogen bonds consolidate the crystal packing, which also exhibits π–π interactions between five-membered rings, with a centroid–centroid distance of 3.409 (2) Å.

scholarly journals Synthesis and crystal structures of a bis(3-hydroxy-cyclohex-2-en-1-one) and two hexahydroquinoline derivatives

2020 ◽  
Vol 76 (2) ◽  
pp. 125-131
Author(s):  
Scott A. Steiger ◽  
Chun Li ◽  
Christina Gates ◽  
Nicholas R. Natale
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Structural Features ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Aryl Group ◽  
Dimensional Network ◽  
A Chain ◽  
Intramolecular Hydrogen

The title compound I, 2,2′-[(2-nitrophenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-enone), C23H27NO6, features a 1,3-ketone–enol conformation which is stabilized by two intramolecular hydrogen bonds. The most prominent intermolecular interactions in compound I are C—H...O hydrogen bonds, which link molecules into a two-dimensional network parallel to the (001) plane and a chain perpendicular to (1\overline{1}1). Both title compounds II, ethyl 4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C23H29NO6, and III, ethyl 4-(anthracen-9-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C29H29NO3, share the same structural features, such as a shallow boat conformation of the dihydropyridine group and an orthogonal aryl group attached to the dihydropyridine. Intermolecular N—H...O bonding is present in the crystal packing of both compound II and III.

scholarly journals Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis(furan-2-yl)-4-hydroxy-4-(thiophen-2-yl)cyclohexane-1,3-diyl]bis(thiophen-2-ylmethanone)

2016 ◽  
Vol 72 (7) ◽  
pp. 976-979 ◽  
Author(s):  
Ísmail Çelik ◽  
Cem Cüneyt Ersanlı ◽  
Mehmet Akkurt ◽  
Hayrettin Gezegen ◽  
Rahmi Köseoğlu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Furan Ring ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C28H22O5S3, the central cyclohexane ring adopts a chair conformation. The atoms of the furan ring attached to the 6-position of the central cyclohexane ring are disordered over two sets of sites with occupancies of 0.832 (5) and 0.168 (5). The hydroxy group is disordered over two positions (at the 4- and 6-positions of the cyclohexane ring) in the ratio 0.832 (5):0.168 (5). In the crystal, molecules are linked by C—H...O hydrogen bonds and C—H...π interactions, forming layers parallel to (100).

3-(2-Chlorobenzyl)isocoumarin

2006 ◽  
Vol 62 (7) ◽  
pp. o2895-o2896 ◽  
Author(s):  
Obaid-Ur-Rehman Abid ◽  
Nasim Hasan Rama ◽  
Ghulam Qadeer ◽  
Gul Shahzada Khan ◽  
Xiao-Ming Lu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Compound C

In the title compound, C16H11ClO2, an unnaturally occurring isocoumarin, the benzene ring is nearly perpendicular to the planar isocoumarin ring system. The crystal packing is stabilized by intra- and intermolecular C—H...Cl and C—H...O hydrogen bonds.

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