scholarly journals Crystal structure of 16-hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one

2015 ◽  
Vol 71 (7) ◽  
pp. o464-o465 ◽  
Author(s):  
Jun-Jun Ge ◽  
Pian Chen ◽  
Xiao-Xia Ye
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Membered Ring ◽  
Boat Conformation ◽  
Carbonyl Groups ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Supramolecular Chains ◽  
Twist Boat

The title compound, C30H48O2, contains a fused four-ring triterpenoid system. In the molecule, the two cyclohexane rings adopt a chair conformation and a twist boat conformation, respectively, the central cyclohexene ring adopts a half-chair conformation whereas the five membered ring adopts an envelope conformation. In the crystal, O—H...O hydrogen bonds between the hydroxy and carbonyl groups of adjacent molecules link the molecules into supramolecular chains propagating along theb-axis direction.

scholarly journals Crystal structure of (1R,3S,8R,11R)-11-acetyl-3,7,7-trimethyl-10-oxatricyclo[6.4.0.01,3]dodecan-9-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1013-o1014
Author(s):  
Abdoullah Bismoussa ◽  
My Youssef Ait Itto ◽  
Jean-Claude Daran ◽  
Abdelwahed Auhmani ◽  
Aziz Auhmani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
A Minor

The title compound, C16H24O3, is built up from three fused rings, a six-membered, a seven-membered and a three-membered ring. The absolute configuration of the title compound was determined as (1R,3S,8R,11R) based on the synthetic pathway. The six-membered ring has an half-chair conformation whereas the seven-membered ring displays a boat conformation. In the cyrstal, C—H...O hydrogen bonds build up a two-dimensional network parallel to (0 0 1). The crystal studied was an inversion twin with a minor twin component of 34%.

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 and molecular structure of aflatrem

2015 ◽  
Vol 71 (11) ◽  
pp. o867-o868
Author(s):  
Bruno N. Lenta ◽  
Jules Ngatchou ◽  
Patrice T. Kenfack ◽  
Beate Neumann ◽  
Hans-Georg Stammler ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Chair Conformation ◽  
Membered Ring ◽  
Compound C ◽  
Cyclohexene Ring

The crystal structure of the title compound, C32H39NO4, confirms the absolute configuration of the seven chiral centres in the molecule. The molecule has a 1,1-dimethylprop-2-enyl substituent on the indole nucleus and this nucleus shares one edge with the five-membered ring which is, in turn, connected to a sequence of three edge-shared fused rings. The skeleton is completed by the 7,7-trimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one group connected to the terminal cyclohexene ring. The two cyclohexane rings adopt chair and half-chair conformations, while in the dioxabicyclo[3.2.1]oct-3-en-2-one unit, the six-membered ring has a half-chair conformation. The indole system of the molecule exhibits a tilt of 2.02 (1)° between its two rings. In the crystal, O—H...O hydrogen bonds connect molecules into chains along [010]. Weak N—H...π interactions connect these chains, forming sheets parallel to (10-1).

scholarly journals Crystal structure of methyl 4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2015 ◽  
Vol 71 (11) ◽  
pp. o838-o839
Author(s):  
M. S. Krishnamurthy ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Pyrimidine Ring ◽  
The Other ◽  
Boat Conformation ◽  
Specific Interactions ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains ◽  
Twist Boat

In the title compound, C13H13FN2O2S, the pyrimidine ring adopts a twist-boat conformation with the MeCNand methine-Catoms displaced by 0.0938 (6) and 0.2739 (3) Å, respectively, from the mean plane through the other four atoms of the ring. The 2-fluorobenzene ring is positioned axially and forms a dihedral angle of 89.13 (4)° with the mean plane through the pyrimidine ring. The crystal structure features N—H...O, N—H...S and C—H...O hydrogen bonds that link molecules into supramolecular chains along thebaxis. These chains are linked into a layer parallel to (10-1) by C—H...π interactions; layers stack with no specific interactions between them.

scholarly journals Crystal structure of (4bS,8aR)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate

2018 ◽  
Vol 74 (5) ◽  
pp. 728-730
Author(s):  
Yassine Laamari ◽  
Moulay Youssef Ait Itto ◽  
Abdelkhalek Riahi ◽  
Sylviane Chevreux ◽  
Aziz Auhmani ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Central Ring ◽  
Π Interactions ◽  
Compound C ◽  
Naturally Occurring ◽  
Cyclohexene Ring

The title compound, C22H28O3, was prepared by a direct acetylation reaction of naturally occurring totarolenone. The molecule contains three fused rings, which exhibit different conformations. The central ring has a half-chair conformation, while the non-aromatic oxo-substituted ring has a screw-boat conformation. In the crystal, molecules are linked by C—H...O hydrogen bonds and C—H...π interactions, forming sheets parallel to the bc plane. The carbonyl O atoms and the C atom at the 6-position of the cyclohexene ring are each disordered over two sets of sites with major occupancy components of 0.63 (7) and 0.793 (14), respectively.

1,2,13,14,14a,15,16,17,18,18a-Decahydro-1,14-methano-4H,6H,8H-1,3,5-oxadiazino[3′,4′:3,3a]benzimidazo[1,7a-b][2,4]benzodiazepine-6,19-dione

2007 ◽  
Vol 63 (11) ◽  
pp. o4440-o4440
Author(s):  
Nengfang She ◽  
Hailing Xi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Cyclohexane Ring ◽  
Boat Conformation ◽  
Compound C

In the title compound, C18H20N4O3, a glycoluril derivative, the oxadiazinane six-membered ring displays a chair conformation and the bridgehead cyclohexane ring a boat conformation. In the crystal structure, intermolecular C—H...O hydrogen bonds may help to establish the packing.

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 (Z)-3-Benzyl-1,5-benzothiazepin-4(5H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2329-o2329
Author(s):  
V. Sabari ◽  
R. Selvakumar ◽  
M. Bakthadoss ◽  
S. Aravindhan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Compound C

In the crystal structure of the title compound, C16H13NOS, molecules are linked into cyclic centrosymmetricR22(8) dimersviapairs of N—H...O hydrogen bonds. The seven-membered ring adopts a boat conformation.

scholarly journals Crystal structure of 2-amino-4-phenyl-4H-benzo[h]chromene-3-carbonitrile

2015 ◽  
Vol 71 (7) ◽  
pp. o516-o517
Author(s):  
Shaaban K. Mohamed ◽  
Peter N. Horton ◽  
Mehmet Akkurt ◽  
Sabry H. H. Younes ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Ring System ◽  
Boat Conformation ◽  
Naphthalene Ring ◽  
Pyran Ring ◽  
Compound C ◽  
Supramolecular Chains ◽  
Ring Motif

In the title compound, C20H14N2O, the plane of the phenyl ring is almost normal to that of the naphthalene ring system, forming a dihedral angle of 83.15 (8)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are connected by C—H...π interactions, forming supramolecular chains along [010].

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.

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