scholarly journals Crystal structures of two chiral piperidine derivatives: 1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-4-one and 8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-thione

2015 ◽  
Vol 71 (10) ◽  
pp. 1207-1211
Author(s):  
Nancy Romero ◽  
Sylvain Bernès ◽  
Luis F. Roa ◽  
Joel L. Terán ◽  
Dino Gnecco
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Chair Conformation ◽  
Conformational Flexibility ◽  
Chair Conformer ◽  
Axis Direction ◽  
Membered Heterocycle ◽  
Supramolecular Chains

The crystal structures of the two title piperidine derivatives show different conformations for the six-membered heterocycle. TheN-substituted 4-piperidinone 1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-4-one, C13H17NO2, (I), has a chair conformation, while the piperidine substituted in position 2 with a thiocarbonyl group, 8-[(1S)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-thione, C15H19NO2S, (II), features a half-chair conformation. Comparison of the two structures, and data retrieved from the literature, suggests that the conformational flexibility is mainly related to the hybridization state of the C atom α to the piperidinic N atom: a Csp3atom favours the chair conformer, while a Csp2atom distorts the ring towards a half-chair conformer. In the crystal structure of (I), weak C—H...O hydrogen bonds link the molecules into supramolecular chains propagating along theb-axis direction. In the crystal of (II), the molecules are linked by weak C—H...S contacts into supramolecular chains propagating along theb-axis direction.

scholarly journals Crystal structure of (Z)-7,8-dichloro-4-(2-oxopropylidene)-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1059-o1060
Author(s):  
Sanae Lahmidi ◽  
Abdelhanine Essaghouani ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
The Mean ◽  
Membered Heterocycle ◽  
Supramolecular Chains

In the title compound, C12H10Cl2N2O2, the seven-membered heterocycle displays a half-chair conformation. The mean plane through the oxopropylidene group makes a dihedral angle of 36.44 (9)° with the fused benzene ring. An intramolecular N—H...O hydrogen bond to close anS(6) loop is noted. An important feature of the molecular packing are N—H...O hydrogen bonds that lead to the formation of helical supramolecular chains along thebaxis.

scholarly journals Crystal structure of 10a-hydroxy-9-(3-nitrophenyl)-3,6-diphenyl-3,4,5,6,7,8a,9,10a-octahydro-1H-xanthene-1,8(2H)-dione

2015 ◽  
Vol 71 (12) ◽  
pp. 1510-1512
Author(s):  
Xin-Yuan Zhang ◽  
Bing-Xiang Hu ◽  
Ze-Yu Zhou ◽  
Lei Zhou ◽  
Fang-Ming Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings ◽  
Supramolecular Chains

In the octahydroxanthenedione unit of the title compound, C31H27NO6, the central dihydropyran ring shows an envelope conformation, while the bilateral cyclohexene and cyclohexane rings adopt a half-boat conformation and a chair conformation, respectively. The nitrobenzene ring is twisted with respect to the two benzene rings, making dihedral angles of 63.1 (1) and 63.0 (1)°. In the crystal, O—H...O hydrogen bonds link the molecules into supramolecular chains propagating along thea-axis direction.

scholarly journals Crystal structure ofcis-1-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)azepan-2-one

2014 ◽  
Vol 70 (9) ◽  
pp. o981-o982 ◽  
Author(s):  
P. S. Pradeep ◽  
S. Naveen ◽  
M. N. Kumara ◽  
K. M. Mahadevan ◽  
N. K. Lokanath
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
Supramolecular Chains

In the title compound, C16H22N2O, the azepan-2-one ring adopts a chair conformation, while the 1,2,3,4-tetrahydropyridine ring adopts a half-chair conformation. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming supramolecular chains propagated along [10-1], with weak C—H...O interactions occurring between the chains.

scholarly journals Crystal structure of (E)-N-(3,4-dimethoxybenzylidene)morpholin-4-amine

2014 ◽  
Vol 70 (9) ◽  
pp. o935-o935 ◽  
Author(s):  
Sevim Türktekin Çelikesir ◽  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Chair Conformation ◽  
Screw Axis ◽  
Compound C ◽  
Axis Parallel ◽  
Morpholine Ring ◽  
Supramolecular Chains

In the title compound, C13H18N2O3, the benzene ring makes a dihedral angle of 17.19 (11)° with the least-squares plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation. In the crystal, C—H...N hydrogen bonds link the molecules into supramolecular chains running along a 21screw axis parallel to theb-axis direction. Weak C—H...π interactions are also observed.

scholarly journals 1-Cyclohexyl-6,7-dimethoxy-1,4-dihydronaphthalene

2014 ◽  
Vol 70 (6) ◽  
pp. o671-o671 ◽  
Author(s):  
Shao-Yuan Chen ◽  
Ya-Ping Zhang ◽  
Bing Huang ◽  
Jia-Jun Yu ◽  
Wei-Yong Shi
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Ficus Carica ◽  
Cyclohexane Ring ◽  
Boat Conformation ◽  
Axis Direction ◽  
Compound C ◽  
Supramolecular Chains

The title compound, C18H24O2, was isolated from the leaves extract ofFicus caricaL. The cyclohexane ring displays a chair conformation whereas the cyclohexa-1,4-diene ring adopts a flattened boat conformation with methyl C atoms at the prow and stern. In the crystal, molecules are linked by weak C—H...O hydrogen bonds into supramolecular chains propagated along theb-axis direction.

scholarly journals Crystal structure of a photobiologically active brominated angular pyranocoumarin: bromo-hydroxy-seselin

2017 ◽  
Vol 73 (3) ◽  
pp. 453-455 ◽  
Author(s):  
A. K. Bauri ◽  
Sabine Foro ◽  
A. F. M. Mustafizur Rahman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

The title compound, C14H13BrO3[systematic name:rac-(9S,10R)-9-bromo-10-hydroxy-8,8-dimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-2-one], is a substituted pyranocoumarin, obtained by bromination of seselin [8,8-dimethyl-2H,8H-pyrano[2,3-f]chromen-2-one], which was isolated from the Indian herbTrachyspermum stictocarpum(Aajmod). The pyrano ring has a distorted half-chair conformation and its mean plane is inclined to the coumarin mean plane by 1.6 (2)°. In the crystal, molecules are linked by pairs of O—H...O hydrogen bonds, forming inversion dimers with anR22(16) ring motif. The dimers stack along thea-axis direction and are linked by offset π–π interactions, forming columns [intercentroid distance = 3.514 (4) Å].

scholarly journals Tetrakis(2-amino-5-chloropyridinium) dihydrogen cyclohexaphosphate

2014 ◽  
Vol 70 (3) ◽  
pp. o342-o343 ◽  
Author(s):  
Ahmed Hamdi ◽  
Lamia Khederi ◽  
Mohamed Rzaigui
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Organic Cations ◽  
Inversion Symmetry ◽  
Axis Direction ◽  
Dimensional Network ◽  
Anion Form

In the crystal structure of the title compound, 4C5H6ClN2+·H2P6O184−, the [H2P6O18]4−anions are interconnected by O—H...O hydrogen bonds, leading to the formation of infinite ribbons extending along thea-axis direction. These ribbons are linked to the organic cations,viaN—H...O and C—H...O hydrogen bonds, into a three-dimensional network. The six P atoms of the [H2P6O18]4−anion form a chair conformation. The complete cyclohexaphosphate anion is generated by inversion symmetry.

scholarly journals Crystal structures of two (±)-exo-N-isobornylacetamides

2015 ◽  
Vol 71 (10) ◽  
pp. 1117-1120 ◽  
Author(s):  
Dmitrijs Stepanovs ◽  
Daniels Posevins ◽  
Maris Turks
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Asymmetric Unit ◽  
Double Chain ◽  
Space Group ◽  
Axis Direction ◽  
Independent Molecules

The title compounds consist of a bornane skeleton with attached acetamide, C12H21NO (±)-(1) {systematic name: (±)-N-[(1RS,2RS,4RS)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]acetamide}, and chloroacetamide, C12H20ClNO (±)-(2) {systematic name: (±)-2-chloro-N-[(1RS,2RS,4RS)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]acetamide}, functionalities to the 2-exo-position. The crystal structure of the first monoclinic polymorph of (±)-(1) has been reported previously [Unget al.(2014).Monatsh. Chem.145, 983–992]. Compound (±)-(1) crystallizes in the space groupP21/nwith two independent molecules in the asymmetric unit, in contrast to the above-mentioned polymorph which crystallized in the space groupC2/cwith one molecule in the asymmetric unit. In the title compounds, the bicyclic bornane moieties have normal geometries. In the crystals of both compounds, molecules are linked by N—H...O hydrogen bonds, reinforced by C—H...O contacts, formingtrans-amide chains propagating along thea-axis direction. In the case of compound (±)-(1), neighbouring chains are linked by further C—H...O contacts, forming double-chain ribbons along [100].

scholarly journals 4-Methyl-1H-1,5-benzodiazepin-2(3H)-one

IUCrData ◽  
2018 ◽  
Vol 3 (12) ◽  
Author(s):  
Khadim Dioukhane ◽  
Younas Aouine ◽  
Hassane Faraj ◽  
Anouar Alami ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Axis Direction ◽  
Compound C ◽  
Membered Heterocycle

In the title compound, C10H10N2O, the seven-membered heterocycle displays a half-chair conformation. In the crystal, N—H...O and C—H...O hydrogen bonds link the molecules into chains propagating along the a-axis direction.

scholarly journals Crystal structure of bis(μ2-tetrabromophthalato-κ2O1:O2)bis[aqua(N,N,N′,N′-tetramethylethane-1,2-diamine-κ2N,N′)copper(II)]

2015 ◽  
Vol 71 (9) ◽  
pp. m171-m172 ◽  
Author(s):  
Luis Manuel Tobón-Trujillo ◽  
Luis Felipe Villanueva-Sánchez ◽  
Diego Martínez-Otero ◽  
Alejandro Dorazco-González
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Complex ◽  
Dinuclear Complex ◽  
Axis Direction ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Supramolecular Chains

In the title complex, [Cu2(C8Br4O4)2(C6H16N2)2(H2O)2], the CuIIcation is chelated by a tetramethylethane-1,2-diamine ligand and coordinated by a water molecule as well as bridged by two tetrabromophthalate anions in a distorted O3N2trigonal–bipyramidal geometry. The two symmetry-related tetrabromophthalate anions bridge the two CuIIcations, forming a centrosymmetric dinuclear complex in which the Cu...Cu separation is 5.054 (2) Å. Intramolecular classic O—H...O hydrogen bonds and weak C—H...O hydrogen bonds occur in the dinuclear molecule. In the crystal, the molecules are linked by weak C—H...Br and C—H...O interactions into supramolecular chains propagating along theb-axis direction.

Sign in / Sign up

Export Citation Format

Share Document