scholarly journals Deacetylcinobufalactam monohydrate

2014 ◽  
Vol 70 (6) ◽  
pp. o651-o652
Author(s):  
Hong-Jin Tang ◽  
Xiao-Feng Yuan ◽  
Hai-Yan Tian ◽  
Li-Jun Ruan ◽  
Ren-Wang Jiang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Ammonium Acetate ◽  
Lactone Ring ◽  
Three Dimensional ◽  
Membered Ring ◽  
Epoxide Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C24H33NO4·H2O, the reaction product of deacetylcinobufagin with ammonium acetate, consists of three cyclohexane rings (A,BandC), one five-membered ring (D), one six-membered lactone ring (E) and an epoxide ring (F). The stereochemistry of the ring junctures areA/B cis,B/C trans,C/D cisandD/F cis. Cyclohexane ringsA,BandChave normal chair conformations. The five-membered ringDadopts an envelope conformation (with the C atom bearing the lactone ring as the flap) and the lactone ringEis planar. In the crystal, hydroxy and water O—H...O and amine N—H...O hydrogen bonds involving carbonyl, hydroxy and water O-atom acceptors link the molecules into a three-dimensional network.

scholarly journals 14,15-Didehydrohellebrigenin

2012 ◽  
Vol 68 (6) ◽  
pp. o1614-o1615
Author(s):  
Tong Yu ◽  
Hai-Yan Tian ◽  
Xiao-Feng Yuan ◽  
Shu-Zhi Hu ◽  
Ren-Wang Jiang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Lactone Ring ◽  
Three Dimensional ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups

The title compound, C24H30O5, is the didehydro product of the steroid hellebrigenin (systematic name: 3β,5,14-trihydroxy-19-oxo-5β-bufa-20,22-dienolide). It consists of three cyclohexane rings (A, B and C), a five-membered ring (D) and a six-membered lactone ring (E). The stereochemistry of the ring junctions are A/B cis, B/C trans and C/D cis. Cyclohexane rings A, B and C have normal chair conformations. The five-membered ring D with the C=C bond adopts an envelope conformation. Lactone ring E is essentially planar with a mean derivation of 0.006 (4) Å and is β-oriented at the C atom of ring D to which it is attached. There is an O—H...O hydrogen bond in the molecule involving the hydroxy groups. In the crystal, O—H...O hydrogen bonds link the molecules into chains propagating along [010]. The chains are linked by C—H...O contacts into a three-dimensional network.

scholarly journals 2-Acetonyl-2-hydroxyindan-1,3-dione

2009 ◽  
Vol 65 (6) ◽  
pp. o1209-o1209 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Mehtab Parveen ◽  
Raza Murad Ghalib ◽  
Sayed Hasan Mehdi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network

In the title compound, C12H10O4, the five-membered ring adopts an envelope conformation, with the Csp3atom at the flap [deviation = 0.145 (2) Å]. In the crystal structure, molecules are linked by intermolecular O—H...O and C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Youssef Ramli ◽  
Rachida Akrad ◽  
Walid Guerrab ◽  
Jamal Taoufik ◽  
Mhamed Ansar ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Oriented Parallel ◽  
Centrosymmetric Dimers

The five-membered ring of the title compound, C19H18N2O4, adopts an envelope conformation. In the crystal, pairwise N—H...O hydrogen bonds form centrosymmetric dimers which are connected into chains parallel to thec-axis direction by pairwise C—H...O hydrogen bonds. A second set of C—H...O hydrogen bonds links these chains into sheets oriented parallel to (100). A combination of additional C—H...O hydrogen bonds and C—H...π(ring) interactions combine the sheets into a three-dimensional network.

scholarly journals Crystal structure of 4-(prop-2-ynyloxy)-2,2,6,6-tetramethylpiperidin-1-oxyl

2014 ◽  
Vol 70 (9) ◽  
pp. 130-133 ◽  
Author(s):  
Shailesh K. Goswami ◽  
Lyall R. Hanton ◽  
C. John McAdam ◽  
Stephen C. Moratti ◽  
Jim Simpson
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Membered Ring ◽  
Equatorial Orientation ◽  
Propargyl Bromide ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H20NO2, was synthesized from 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl (hydroxy-TEMPO) and propargyl bromide. The six-membered ring adopts a flattened chair conformation and carries a propynyloxy substituent in an equatorial orientation at the 4-position. The N—O bond length of the piperidin-1-oxyl unit is 1.289 (3) Å. In the crystal, C—H...O hydrogen bonds combine with unusual C—H...π interactions involving the alkyne unit as acceptor to generate a three-dimensional network.

scholarly journals Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-4,6-epoxy-1H-cyclopenta[c]pyridin-1-one

2021 ◽  
Vol 77 (5) ◽  
pp. 532-536
Author(s):  
Dmitriy F. Mertsalov ◽  
Nataliya S. Surina ◽  
Elena A. Sorokina ◽  
Sevim Türktekin Çelikesir ◽  
Mehmet Akkurt ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Hirshfeld Surface ◽  
Van Der Waals Interactions ◽  
Double Layers ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C15H15Br2NO3, comprises a fused tricyclic system consisting of two five-membered rings (cyclopentane and tetrahydrofuran) and one six-membered ring (tetrahydropyridinone). Both five-membered rings of the tricyclic system have envelope conformations, and the conformation of the six-membered cycle is intermediate between chair and half-chair. In the crystal, the molecules are linked by C—H...O hydrogen bonds and C—H...π, C—Br...π and C...O interactions into double layers. The layers are connected into a three-dimensional network by van der Waals interactions.

scholarly journals Crystal structure of 1,2,3,5-di-O-methylene-α-D-xylofuranose

2015 ◽  
Vol 71 (11) ◽  
pp. o889-o889
Author(s):  
Ioannis Tiritiris ◽  
Stefan Tussetschläger ◽  
Willi Kantlehner
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Cyclic Acetal ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C7H10O5, was synthesized by reaction of D-xylose with paraformaldehyde. In the crystal, the central part of the molecule consists of a five-membered C4O ring with an envelope conformation, with the methine C atom adjacent to the O atom being the flap. The protected O atoms of both cyclic acetal groups are oriented so that the four chiral C atoms of the furanose part show anRconfiguration. C—H...O hydrogen bonds are present between adjacent molecules, generating a three-dimensional network.

scholarly journals (3aR*,6S*,7aR*)-7a-Chloro-6-methyl-2-(4-methylphenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-3a,6-epoxy-1H-isoindole

2012 ◽  
Vol 68 (4) ◽  
pp. o1102-o1103 ◽  
Author(s):  
Ersin Temel ◽  
Aydın Demircan ◽  
Gözde Beyazova ◽  
Orhan Büyükgüngör
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network

In the title compound, C16H18ClNO3S, the six-membered ring has a boat conformation. The two five-membered rings with the bridging O atom adopt envelope conformations, whereas the N-containing five-membered ring adopts a twisted conformation. In the crystal, C—H...O hydrogen bonds link the molecules into a three-dimensional network.

scholarly journals Betulin 3,28-di-O-tosylate

2014 ◽  
Vol 70 (8) ◽  
pp. o879-o880
Author(s):  
Uldis Peipiņš ◽  
Niks Freimanis ◽  
Dmitrijs Stepanovs ◽  
Anatoly Mishnev ◽  
Māris Turks
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Envelope Conformation ◽  
Compound C ◽  
Naturally Occurring ◽  
Dimensional Network ◽  
Cyclopentane Ring

The title compound, C44H62O6S2{systematic name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-3a-[(tosyloxy)methyl]icosahydro-1H-cyclopenta[a]chrysen-9-yl 4-methylbenzenesulfonate}, was obtained by tosylation of naturally occurring betulin. All the cyclohexane rings adopt chair conformations and the cyclopentane ring adopts a twisted envelope conformation, with the C atom bearing the tosylmethyl substituent forming the flap. In the crystal, molecules form a three-dimensional network through multiple weak C—H...O hydrogen bonds.

scholarly journals Crystal structure of 3-methoxycarbonyl-2-(4-methoxyphenyl)-8-oxo-1-azaspiro[4.5]deca-1,6,9-trien-1-ium-1-olate

2014 ◽  
Vol 70 (11) ◽  
pp. o1200-o1201
Author(s):  
Lucimara Julio Martins ◽  
Deborah de Alencar Simoni ◽  
Ricardo Aparicio ◽  
Fernando Coelho
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Heck Reaction ◽  
Three Dimensional ◽  
Membered Ring ◽  
Synthetic Strategy ◽  
Compound C ◽  
Dimensional Network

The title compound, C18H17NO5, was prepared by a synthetic strategy based on the Heck reaction from Morita–Baylis–Hillman adducts. The five-membered ring adopts a slightly twisted conformation on the Ca—Cm(a = aromatic and m = methylene) bond. The dihedral angle between the five-membered ring and the spiro aromatic ring is 89.35 (7)°; that between the five-membered ring and the 4-methoxybenzene ring is 4.65 (7)°. Two short intramolecular C—H...O contacts occur. In the crystal, molecules are linked by C—H...O hydrogen bonds to generate a three-dimensional network.

scholarly journals 7′-Amino-1′H-spiro[cycloheptane-1,2′-pyrimido[4,5-d]pyrimidin]-4′(3′H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2546-o2546
Author(s):  
Shu Chen ◽  
Daxin Shi ◽  
Mingxing Liu ◽  
Jiarong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H17N5O, was obtained by cyclocondensation of 2,4-diaminopyrimidine-5-carbonitrile with cycloheptanone. The tetrahydropyrimidine ring has a distorted boat conformation and the cycloheptane ring adopts a chair conformation. In the crystal, molecules are linkedviaN—H...O and N—H...N hydrogen bonds generating a three-dimensional network.

Sign in / Sign up

Export Citation Format

Share Document