scholarly journals 6-Methylideneandrost-4-ene-3,17-dione

2012 ◽  
Vol 68 (4) ◽  
pp. o1263-o1263
Author(s):  
L. C. R. Andrade ◽  
M. J. M. de Almeida ◽  
F. M. Fernandes Roleira ◽  
C. L. Varela ◽  
E. J. Tavares da Silva
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Double Bonds ◽  
Envelope Conformation ◽  
Compound C ◽  
Methylene Group ◽  
Methylene Derivative

In the title compound, C20H26O2, which is the 6-methylene derivative of androstenedione and a synthetic percursor of exemestane, the steroidAring approximates to a sofa (or envelope) conformation, with the methylene group adjacent to the link to theBring lying out of the plane of the other atoms. TheBandCrings have slightly flattened chair conformations and theDring is an envelope, with the CH group forming the flap. In the crystal, molecules are linked by two distinct C—H...O hydrogen bonds, involving acidic H atoms close to C=C and C=O double bonds.

scholarly journals Crystal structure of 1,3-diallyl-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzothiophene 2,2-dioxide

2014 ◽  
Vol 70 (11) ◽  
pp. o1163-o1164 ◽  
Author(s):  
Sambasivarao Kotha ◽  
Rama Gunta
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
The Other ◽  
Double Bonds ◽  
Envelope Conformation ◽  
Compound C ◽  
Membered Heterocycle

The title compound C15H20O2S, was identified as a product of diallylation of themeso-isomer of the corresponding norbornene sulfone, and it is an achiral compound. The five-membered heterocycle adopts an envelope conformation with the S atom deviating by 0.795 (3) Å from the other atoms of the ring (r.m.s. deviation = 0.0131). Both allyl groups areanti-oriented relative to the S atom but their double bonds are directed in opposite directions relative to the plane of the heterocycle.

scholarly journals {(3aR,5S,6R,6aR)-5-[(R)-1,2-Dihydroxyethyl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl}methyl methanesulfonate

2014 ◽  
Vol 70 (5) ◽  
pp. o524-o525 ◽  
Author(s):  
Vitālijs Rjabovs ◽  
Anatoly Mishnev ◽  
Glebs Kiselovs ◽  
Māris Turks
Keyword(s):  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Phase Angle ◽  
Title Compound ◽  
The Other ◽  
Methyl Methanesulfonate ◽  
Envelope Conformation ◽  
Compound C

In the title compound, C11H20O8S, the furanose ring has a pseudorotation phase angle equal to 31.3° and assumes a3T4conformation, with deviations of 0.297 (4) and −0.152 (4) Å for the corresponding C atoms. The dioxolane ring adopts an envelope conformation. One of the O atoms is at the flap and deviates from the least-squares plane formed by the other four ring atoms by 0.405 (2) Å. The dihedral angle between the planar fragments of the rings is 63.53 (8)°. In the crystal, molecules are associated into sheets perpendiculer to thebaxis by means of O—H...O hydrogen bonds. A few weak C—H...O interactions are also observed.

Diethyl 7,12-dihydro-8-iodo-6,13-dioxo-cis-7H,11H-2,4-dioxa-5a,6a,12a,13a-tetraazabenz[f]cycloocta[cd]azulene-13b,13c-dicarboxylate

2006 ◽  
Vol 62 (7) ◽  
pp. o2738-o2740
Author(s):  
Yun-Feng Chen ◽  
Yu-Zhou Wang ◽  
Hui-Zhen Guo ◽  
Yi-Tao Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
The Other ◽  
Π Interactions ◽  
Compound C ◽  
Methylene Groups ◽  
Methylene Group

The title compound, C21H23IN4O8, is a glycoluril derivative with five fused rings. An iodobenzene ring is fused to a seven-membered ring which binds two of the N atoms from separate rings of the glycoluril system. The other N atoms are linked via methylene groups to form an eight-membered ring with two ether O atoms separated by an additional methylene group. The crystal structure is stabilized by inversion-related C—H...π interactions together with C—H...O non-classical hydrogen bonds.

scholarly journals Crystal structure of 2-isopropyl-5,7′-dimethyl-1′,3′,3a',6′,8a',8b'-hexahydrospiro[cyclohexane-1,6′-furo[3,4-d]imidazo[1,5-b]isoxazol]-8′(7′H)-one

2016 ◽  
Vol 72 (8) ◽  
pp. 1150-1152
Author(s):  
Heithem Abda ◽  
Khaireddine Ezzayani ◽  
Kaiss Aouadi ◽  
Taha Guerfel ◽  
Sebastien Vidal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C17H28N2O3, the isoxazolidine ring adopts an envelope conformation with the O atom deviating from the mean plane of the other four ring atoms by 0.617 (1) Å. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming chains which extend along theb-axis direction.

scholarly journals tert-ButylN-[(1R*,2R*,4R*,5S*)-rel-4-tert-butoxybicyclo[3.1.0]hex-2-yl]-N-hydroxycarbamate

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Alan J. Lough ◽  
Katrina Tait ◽  
Alysia Horvath ◽  
William Tam
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Cyclopropane Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Cyclopentane Ring ◽  
Methylene Group

In the title compound, C15H27NO4, the cyclopentane ring adopts an envelope conformation with the methylene group as the flap. The dihedral angle between the cyclopropane ring and the cyclopentane ring (all atoms) is 77.54 (13)°. In the crystal, molecules are linkedviaO—H...O hydrogen bonds, formingC(7) chains propagating along [010].

scholarly journals 1-Ethyl-4-[1-(1-phenylethylidene)hydrazin-2-ylidene]-3,4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1927-o1927
Author(s):  
Muhammad Shafiq ◽  
Islam Ullah Khan ◽  
Muhammad Nadeem Arshad ◽  
Iftikhar Hussain Bukhari ◽  
Ejaz
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
The Other ◽  
Double Bonds ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C18H19N3O2S, the thiazine ring adopts an envelope conformation, with the S atom displaced by 0.732 (1) Å from the other atoms of the ring. The phenyl ring is oriented at a dihedral angle of 79.33 (7)° with respect to the fused benzene ring. The conformations about the two double bonds in the R 2C=N—N=C(CH3)Ar grouping are Z and E, respectively. In the crystal, inversion dimers linked by pairs of C—H...O interactions generate R 2 2(8) and R 2 2(12) loops, as parts of infinite chains along the a-axis direction.

scholarly journals {1′-Phenyl-1′,2′,5′,6′,7′,7a'-hexahydrospiro[indeno[1,2-b]quinoxaline-11,3′-pyrrolizin]-2′-yl}(p-tolyl)methanone

2012 ◽  
Vol 68 (8) ◽  
pp. o2469-o2469 ◽  
Author(s):  
T. Srinivasan ◽  
S. Suhitha ◽  
S. Purushothaman ◽  
R. Raghunathan ◽  
D. Velmurugan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Site Occupancy ◽  
Membered Ring ◽  
The Other ◽  
Envelope Conformation ◽  
Compound C ◽  
A Site ◽  
Quinoxaline System

In the title compound, C35H29N3O, the quinoxaline and indene systems are essentially planar, with maximum deviations of 0.047 (2) and 0.032 (2) Å for C atoms, respectively. The quinoxaline system forms a dihedral angle of 4.75 (3)° with the indene system. The pyrrolizine system is folded. The substituted five-membered ring adopts an envelope conformation. In the other five-membered ring, one C atom is disordered with a site-occupancy ratio of 0.676 (12):0.324 (12). In the crystal, molecules are linkedviaC—H...O hydrogen bonds involving the bifurcated carbonyl O atom.

2,6-Bis(3,4-dimethoxybenzylidene)-4-ethylcyclohexanone

2007 ◽  
Vol 63 (11) ◽  
pp. o4432-o4432
Author(s):  
Rajeev Mudakavi ◽  
Brinda ◽  
M. Srinivas Murthy ◽  
Deepak Chopra ◽  
T. N. Guru Row
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Double Bonds ◽  
Envelope Conformation ◽  
Compound C

In the title compound, C26H30O5, both the double bonds exist in an E configuration. The aryl rings are not coplanar with the adjacent olefinic groups owing to non-bonded interactions between the ortho H atoms of the aryl rings and the equatorial H atoms at the 3- and 5-positions of the cyclohexyl ring; the dihedral angles between the aryl rings and the olefinic groups are 33.7 (3) and 48.6 (4)°. The cyclohexanone ring adopts an envelope conformation and the crystal structure is stabilized by C—H...O hydrogen bonds.

1-(3-Nitrophenyl)-5-tosylperhydropyrrolo[3,4-b]pyrrole

2006 ◽  
Vol 62 (5) ◽  
pp. o2045-o2047 ◽  
Author(s):  
D. Gayathri ◽  
D. Sujatha ◽  
D. Velmurugan ◽  
K. Ravikumar ◽  
M. Poornachandran
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Envelope Conformation ◽  
Compound C

In the title compound, C19H21N3O4S, one of the pyrrolidine rings adopt a half-chair conformation, while the other is in an envelope conformation. The molecules are linked into C(9) chains by C—H...O hydrogen bonds.

scholarly journals Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane

2013 ◽  
Vol 69 (11) ◽  
pp. o1669-o1669
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H. S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Envelope Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C25H32N4O4, both piperazine rings adopt a chair conformation. One of dioxolane ring systems is essentially planar [dihedral angle = 0.9 (2)°] while the other adopts a slightly disordered envelope conformation, the mean plane of the dioxolane ring being twisted by 3.6 (2)° from that of the benzene ring. The dihedral angle between the benzene rings is 69.9 (5)°. No classical hydrogen bonds were observed.

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