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 (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 (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 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 of 5,10,15-triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin

2014 ◽  
Vol 70 (10) ◽  
pp. o1085-o1086
Author(s):  
Mathias O. Senge ◽  
Hans-Georg Eckhardt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Central Region ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Porphyrin Macrocycle ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C44H37BN4O2, the dihedral angle between the plane of the porphyrin macrocycle ring system [r.m.s. deviation = 0.159 (1) Å] and those of three phenyl rings are 66.11 (4), 74.75 (4) and 57.00 (4)°. The conformational distortion is characterized by a mixture of ruffled, saddle and in-plane distortion modes. In the crystal, the porphyrin molecules are linked by C—H...π interactions into supramolecular chains running along thea-axis direction. A pair of bifurcated N—H...(N,N) hydrogen bonds occur across the central region of the macrocycle.

scholarly journals Crystal structure of dimethyl 3,3′-[(4-fluorophenyl)methylene]bis(1H-indole-2-carboxylate)

2015 ◽  
Vol 71 (10) ◽  
pp. 1140-1142 ◽  
Author(s):  
Hong-Shun Sun ◽  
Yu-long Li ◽  
Hong Jiang ◽  
Ning Xu ◽  
Hong Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C27H21FN2O4, the mean planes of the indole ring systems (r.m.s. deviations = 0.0263 and 0.0160 Å) are approximately perpendicular to one another, making a dihedral angle of 84.0 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 89.5 (5) and 84.6 (3)°. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into inversion dimers, which are further linked by N—H...O hydrogen bonds into supramolecular chains propagated along theb-axis direction. Weak C—H...π interactions are observed between neighbouring chains.

scholarly journals Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis(furan-2-yl)-4-hydroxy-4-(thiophen-2-yl)cyclohexane-1,3-diyl]bis(thiophen-2-ylmethanone)

2016 ◽  
Vol 72 (7) ◽  
pp. 976-979 ◽  
Author(s):  
Ísmail Çelik ◽  
Cem Cüneyt Ersanlı ◽  
Mehmet Akkurt ◽  
Hayrettin Gezegen ◽  
Rahmi Köseoğlu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Furan Ring ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C28H22O5S3, the central cyclohexane ring adopts a chair conformation. The atoms of the furan ring attached to the 6-position of the central cyclohexane ring are disordered over two sets of sites with occupancies of 0.832 (5) and 0.168 (5). The hydroxy group is disordered over two positions (at the 4- and 6-positions of the cyclohexane ring) in the ratio 0.832 (5):0.168 (5). In the crystal, molecules are linked by C—H...O hydrogen bonds and C—H...π interactions, forming layers parallel to (100).

4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate

2006 ◽  
Vol 62 (4) ◽  
pp. o1295-o1297
Author(s):  
J. Suresh ◽  
V. P. Alex Raja ◽  
S. Natarajan ◽  
S. Perumal ◽  
A. Mostad ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ethyl Acetate ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
Phenyl Rings ◽  
Space Filler ◽  
Acetate Molecule

In the title compound, C30H24N2O·0.5C4H8O2, the piperidone ring adopts the chair conformation and all the phenyl rings are equatorially oriented. The ethyl acetate molecule is present as a space filler and does not participate in the hydrogen-bonding network. The crystal structure is stabilized through C—H...N and C—H...O hydrogen bonds. No significant C—H...π and π–π interactions are observed.

scholarly journals Crystal structure of 7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid

2015 ◽  
Vol 71 (2) ◽  
pp. o94-o94
Author(s):  
Noureddine Beghidja ◽  
Samir Benayache ◽  
Fadila Benayache ◽  
David W. Knight ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Chair Conformation ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Carboxylic Groups

In the title compound, C15H22O2, both five-membered rings display an envelope conformation whereas the six-membered ring displays a chair conformation. In the crystal, pairs of O—H...O hydrogen bonds between carboxylic groups link molecules, related by a twofold rotation axis, into supramolecular dimers.

scholarly journals Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1039-o1040 ◽  
Author(s):  
Rajeswari Gangadharan ◽  
Jebiti Haribabu ◽  
Ramasamy Karvembu ◽  
K. Sethusankar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
The Mean

In the title compound, C17H20ClN3OS, the mean plane of the central thiourea core makes dihedral angles of 26.56 (9) and 47.62 (12)° with the mean planes of the chromene moiety and the cyclohexyl ring, respectively. The cyclohexyl ring adopts a chair conformation. The N–H atoms of the thiourea unit adopt ananticonformation. The chromene group is positionedtrans, whereas the cyclohexyl ring lies in thecisposition to the thione S atom, with respect to the thiourea C—N bond. In the crystal, molecules are linked by N—H...S hydrogen bonds, forming inversion dimers enclosingR22(8) ring motifs. The dimers are linked by C—H...Cl hydrogen bonds, enclosingR66(44) ring motifs, forming sheets lying parallel to (010).

(1R,4S,8R,12S,13S,14R,16S,19R)-14-Hydroxy-7,7-dimethyl-17-methylene-2,9,18-trioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-19-yl acetate

2007 ◽  
Vol 63 (11) ◽  
pp. o4439-o4439
Author(s):  
Hao Shi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
The Absolute

The title compound, C22H26O8, prepared from the natural diterpenoid Macrocalyxin J, is built up from five fused rings. Cyclohenane ring A adopts a chair conformation, ring B exists in a screw-boat conformation and ring C adopts a boat conformation; the two five membered rings adopt envelope conformations. Two unique molecules are present in the asymmetric unit; both independent molecules have the same absolute configuration, the absolute configuration being deduced from the chirality of Macrocalyxin A, which was isolated from the same plant (i.e. Rabdosia macrocalyx) as Macrocalyxin J. The crystal structure displays intermolecular O—H...O hydrogen bonds.

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