scholarly journals Capecitabine from X-ray powder synchrotron data

2009 ◽  
Vol 65 (6) ◽  
pp. o1325-o1326 ◽  
Author(s):  
Jan Rohlicek ◽  
Michal Husak ◽  
Ales Gavenda ◽  
Alexandr Jegorov ◽  
Bohumil Kratochvil ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Electrostatic Interactions ◽  
Furan Ring ◽  
Crystal Packing ◽  
X Ray ◽  
Envelope Conformation

In the title compound [systematic name 5-deoxy-5-fluoro-N-(pentyloxycarbonyl)cytidine], C15H22FN3O6, the pentyl chain is disordered over two positions with refined occupancies of 0.53 (5) and 0.47 (5). The furan ring assumes an envelope conformation. In the crystal, intermolecular N—H...O hydrogen bonds link the molecules into chains propagating along thebaxis. The crystal packing exhibits electrostatic interactions between the 5-fluoropyrimidin-2(1H)-one fragments of neighbouring molecules as indicated by short O...C [2.875 (3) and 2.961 (3) Å] and F...C [2.886 (3) Å] contacts.

scholarly journals tert-Butyl (2S,3R,4R)-7′-bromo-4-methyl-2′,5-dioxo-4,5-dihydro-3H-spiro[furan-2,3′-indoline]-3-carboxylate

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Chen-Hong Meng ◽  
Ai-Bao Xia
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Furan Ring ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C17H18BrNO5, the furan ring has an envelope conformation with the carboxylate substituted C atom as the flap. The planar indoline ring is inclined to the mean plane of the furan ring by 87.5 (2)°. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds forming chains propagating along the a-axis direction.

scholarly journals (±)-trans-5-Benzoyl-4-(3-bromophenyl)-2-(1H-indol-3-yl)-4,5-dihydrofuran-3-carbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2397-o2397 ◽  
Author(s):  
J. Suresh ◽  
R. Vishnupriya ◽  
P. Gunasekaran ◽  
S. Perumal ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Furan Ring ◽  
Crystal Packing ◽  
Linear Chain ◽  
Envelope Conformation ◽  
Compound C ◽  
Ring Motif

The furan ring in the title compound, C26H17BrN2O2, adopts a twisted envelope conformation. The molecular structure is stabilized by an intramolecular C—H...O interaction which generates anS(6) ring motif. The crystal packing is stabilized by N—H...O and C—H...Br interactions, generating anR22(16) ring motif and aC(12) linear chain motif, respectively. Weak C—H...π bonding is also observed.

3β,5α,15α-Trihydroxy-5-androsten-17-one dihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4445-o4445 ◽  
Author(s):  
Wei Zhou ◽  
Guo-Hong Wang ◽  
Wei-Xiao Hu ◽  
Chun-Nian Xia
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Water Molecules ◽  
Envelope Conformation ◽  
Compound C ◽  
Steroid Skeleton

In the steroid skeleton of the title compound, C19H28O4·2H2O, ring A assumes a slightly twisted chair conformation, ring C adopts a regular chair conformation, ring B adopts a half-chair conformation and ring D has a somewhat twisted envelope conformation. The crystal packing exhibits an extensive three-dimensional hydrogen-bonding network, formed by intermolecular O—H...O hydrogen bonds between the steroid and water molecules.

scholarly journals (R)-3,3-Diethyl-1-(2-hydroxy-1-phenylethyl)piperidin-2-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2356-o2356
Author(s):  
Oscar Romero ◽  
Johana Ramírez ◽  
Joel L. Terán ◽  
Marcos Flores-Alamo ◽  
Jorge R. Juárez
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Infinite Chain ◽  
Axis Direction ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C

In the title compound C17H25NO2, the piperidin-2-one ring adopts an envelope conformation with the C atom in the 5-position as the flap. The crystal packing is stabilized by intermolecular O—H...O hydrogen bonds, building a infinite chain along theb-axis direction. C—H...π interactions further stabilize the crystal packing.

scholarly journals N′-[(E)-3-Bromo-5-chloro-2-hydroxybenzylidene]furan-2-carbohydrazide

2014 ◽  
Vol 70 (6) ◽  
pp. o670-o670
Author(s):  
A. Sundar ◽  
S. Ranjith ◽  
G. Rajagopal
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Furan Ring ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Membered Ring ◽  
Supramolecular Architecture ◽  
Compound C

In the title compound, C12H8BrClN2O3, the furan ring makes a dihedral angle of 17.2 (2)° with the six-membered ring. An intramolecular O–H...N hydrogen bond stabilizes the molecular conformation. In the crystal, N–H...O hydrogen bonds connect the molecules into chains running along thec-axis direction. The crystal packing is additionally stabilized by C—H...O interactions into a three-dimensional supramolecular architecture.

scholarly journals Methyl 4′-(4-fluorophenyl)-1′-methyl-3′-nitromethyl-2-oxospiro[indoline-3,2′-pyrrolidine]-3′-carboxylate

2013 ◽  
Vol 69 (2) ◽  
pp. o278-o278
Author(s):  
B. K. Revathi ◽  
S. Sathya ◽  
G. Usha ◽  
G. Murugan ◽  
M. Bakthadoss
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Envelope Conformation ◽  
Compound C

In the title compound, C21H20FN3O5, the the pyrrolidine ring makes dihedral angles of 84.91 (6) and 62.38 (7)° with the oxindole unit and the fluorophenyl ring, respectively. The pyrrolidine ring assumes an envelope conformation with the spiro C atom as the flap. The crystal packing features weak N—H...N and C—H...O hydrogen bonds.

scholarly journals (2S,3′S,3a'R,5′R,7a'R)-5′-[(E)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3′,4,7′-trimethyl-1′,2′,3′,3a',5′,7a'-hexahydro-5H-spiro[furan-2,4′-inden]-5-one

IUCrData ◽  
2020 ◽  
Vol 5 (12) ◽  
Author(s):  
Thomas Majer ◽  
Dieter Schollmeyer ◽  
Pierre Koch ◽  
Harald Gross
Keyword(s):  
Hydrogen Bonds ◽  
Marine Sponge ◽  
Title Compound ◽  
Furan Ring ◽  
Crystal Packing ◽  
Glycine Receptor ◽  
New Class ◽  
Tetronic Acid ◽  
Receptor Modulators ◽  
Acid Compound

The title compound, ircinianin, C25H32O4, belongs to the sesterterpene tetronic acid compound family and was isolated from the marine sponge Ircinia wistarii. These chemical scaffolds are pharmacologically relevant, since they represent a new class of glycine receptor modulators. The furan ring makes a dihedral angle of 35.14 (12)° to the 4-hydroxy-3-methylfuran-2(5H)-one ring. The crystal packing is characterized by intermolecular O—H...O hydrogen bonds, which generate [010] chains.

scholarly journals (E)-2-Cyano-N′-(1,2,3,4-tetrahydronaphthalen-1-ylidene)acetohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1740-o1740
Author(s):  
Mohamed A. Al-Omar ◽  
Nagy M. Khalifa ◽  
Hazem A. Ghabbour ◽  
Tze Shyang Chia ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean ◽  
A Chain

In the title compound, C13H13N3O, the tetrahydrobenzene ring adopts a half-boat (envelope) conformation. The mean plane of the tetrahydronaphthalene ring system forms a dihedral angle of 9.56 (6)° with the mean plane of the cyanoacetohydrazide group. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds generate R 2 2(8) loops. The dimers are connected by C—H...N hydrogen bonds into a chain propagating along [101]. The crystal packing also features C—H...π interactions.

scholarly journals Powder study of 3-azabicyclo[3.3.1]nonane-2,4-dione form 2

2006 ◽  
Vol 62 (7) ◽  
pp. o3046-o3048 ◽  
Author(s):  
Ashley T Hulme ◽  
Philippe Fernandes ◽  
Alastair Florence ◽  
Andrea Johnston ◽  
Kenneth Shankland
Keyword(s):  
Crystal Structure ◽  
Simulated Annealing ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Title Compound ◽  
Variable Temperature ◽  
Polycrystalline Sample ◽  
Asymmetric Unit ◽  
X Ray ◽  
Compound C

A polycrystalline sample of a new polymorph of the title compound, C8H11NO2, was produced during a variable-temperature X-ray powder diffraction study. The crystal structure was solved at 1.67 Å resolution by simulated annealing from laboratory powder data collected at 250 K. Subsequent Rietveld refinement yielded an R wp of 0.070 to 1.54 Å resolution. The structure contains two molecules in the asymmetric unit, which form a C 2 2(8) chain motif via N—H...O hydrogen bonds.

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.

Sign in / Sign up

Export Citation Format

Share Document