scholarly journals (7, 8-Dimethyl-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodithioate

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Shamantha Kumar ◽  
Chandra ◽  
Amar A Hosamani ◽  
M. Mahendra ◽  
B. H. Doreswamy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Π Interactions ◽  
Compound C ◽  
Morpholine Ring

In the title compound, C17H19NO3S2, the chromene unit makes a dihedral angle of 88.48 (5)° with the best plane through the morpholine ring. The carbodithioate group is present in an antiperiplanar conformation with respect to the morpholine ring, as indicated by the S—C—N—C torsion angle of −171.64 (8)°. The morpholine moiety adopts the usual chair conformation. The crystal structure features C—H...O and C—H...S hydrogen bonds and C—H...π interactions.

scholarly journals Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide

2017 ◽  
Vol 73 (10) ◽  
pp. 1530-1533
Author(s):  
Khairi Suhud ◽  
Siti Aishah Hasbullah ◽  
Musa Ahmad ◽  
Lee Yook Heng ◽  
Mohammad B. Kassim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Piperidine Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C14H18N2O2S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-methoxybenzoyl ring, with a dihedral angle of 63.0 (3)°. The central N—C(=S)—N(H)—C(=O) bridge is twisted with an N—C—N—C torsion angle of 74.8 (6)°. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming chains along thec-axis direction. Adjacent chains are linked by C—H...π interactions, forming layers parallel to theacplane. The layers are linked by offset π–π interactions [intercentroid distance = 3.927 (3) Å], forming a supramolecular three-dimensional structure.

scholarly journals 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1768-o1769
Author(s):  
Nasser R. El-Brollosy ◽  
Mohamed I. Attia ◽  
Ali A. El-Emam ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Ethylene Bond

In the title compound, C20H20N2O3, the ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.024 Å), and this plane is almost orthogonal to the terminal phenyl ring [dihedral angle = 82.87 (7)°]. The conformation about the ethylene bond [1.335 (2) Å] is E and there is a significant twist between this residue and the adjacent phenyl ring [C—C—C— torsion angle = −48.4 (3)°]. The crystal structure features centrosymmetric dimeric units linked by pairs of N—H...O hydrogen bonds between the amide groups which lead to eight-membered {...HNCO}2 synthons. These are consolidated into a three-dimensional architecture by C—H...O, C—H...π and π–π interactions [centroid–centroid distances = 3.5087 (8) and 3.5645 (9) Å].

scholarly journals Crystal structure of 1′-(prop-2-yn-1-yl)-1,4-dihydrospiro[benzo[d][1,3]oxazine-2,3′-indolin]-2′-one

2015 ◽  
Vol 71 (7) ◽  
pp. o510-o511
Author(s):  
Y. AaminaNaaz ◽  
J. Kamalraja ◽  
G. Vimala ◽  
P. T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Oxazine Ring

In the title compound, C18H14N2O2, the six-membered oxazine ring adopts a half-chair conformation and its mean plane makes a dihedral angle of 83.23 (7)° with the pyrrolidine ring of the indoline ring system. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, forming chains along [100]. The chains are linked by C—H...π interactions, forming slabs parallel to (001).

scholarly journals Crystal structure of 4-{[(2,4-dihydroxybenzylidene)amino]methyl}cyclohexanecarboxylic acid

2015 ◽  
Vol 71 (12) ◽  
pp. o995-o996
Author(s):  
Muhammad Danish ◽  
Saba Akbar ◽  
Muhammad Nawaz Tahir ◽  
Rabia Ayub Butt ◽  
Muhammad Ashfaq
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Basal Plane ◽  
Chair Conformation ◽  
Π Interactions ◽  
Compound C

In the title compound, C15H19NO4, the cyclohexyl ring adopts a chair conformation with both exocyclic C—C bonds in equatorial orientations. The dihedral angle between the basal plane of cyclohexyl ring and the 2,4-dihydroxybenzaldehyde moiety is 84.13 (13)°. An intramolecular O—H...N hydrogen bonds closes anS(6) ring. In the crystal, Oc—H...Op(c = carboxylic acid, p = phenol) hydrogen bonds link the molecules into [100]C(13) chains whereas an Op—H...Ochydrogen bond generates [101]C(15) chains. Together, these bonds generate (010) sheets incorporatingR22(20) loops. Weak C—H...O and C—H...π interactions also occur.

scholarly journals 4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
H. S. Yeshwanthkumar ◽  
P. Nagendra ◽  
B. P. Siddaraju ◽  
K. C. Chaluvaraju ◽  
K. Byrappa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C14H11Cl2NO2, the dihedral angle between the phenyl rings is 8.60 (17)° and the nitro group makes a dihedral anle of 29.4 (4)° with its attached ring. The crystal structure features C—H...O hydrogen bonds and π–π interactions.

scholarly journals Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide

2016 ◽  
Vol 72 (2) ◽  
pp. 133-135
Author(s):  
Qi-Di Zhong ◽  
Sheng-Quan Hu ◽  
Hong Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Bond Forming ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C13H12N2O2(I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intramolecular N—H...O hydrogen bond forming an S(7) ring motif. In the crystal, molecules are linkedviaa pair of N—H...O hydrogen bonds forming inversion dimers. C—H...O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C—H...π interactions forming layers parallel to theacplane.

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 4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Yanwen Sun ◽  
Haolei Wu ◽  
Changheng Wei ◽  
Mei Gao ◽  
Zeyi Shen ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Bond Forming ◽  
Compound C ◽  
Pyridazine Ring ◽  
Morpholine Ring

In the title compound, C17H16ClN5O3, the phenyl and the oxadiazole rings are almost coplanar, subtending a dihedral angle of 4.34 (19)°. These rings lie almost normal to the pyridazine ring, making dihedral angles of 87.35 (16) and 89.06 (15)°, respectively. The morpholine ring has the usual chair conformation and its mean plane is inclined to the pyridazine ring by 39.45 (17)°. There is a short intramolecular C—H...Cl contact present. In the crystal, molecules are linked by bifurcated C—(H,H)...O hydrogen bonds and a C—H...N hydrogen bond, forming layers parallel to the ab plane.

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).

scholarly journals Crystal structure of 3-amino-2-ethylquinazolin-4(3H)-one

2015 ◽  
Vol 71 (9) ◽  
pp. o650-o651
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Mohammed Baashen ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Ethyl Group ◽  
Π Interactions ◽  
Step Structure ◽  
Compound C ◽  
Centroid Distance

The molecule of the title compound, C10H11N3O, is planar, including the ethyl group, as indicated by the N—C—C—C torsion angle of 1.5 (2)°. In the crystal, inversion-related molecules are stacked along theaaxis. Molecules are oriented head-to-tail and display π–π interactions with a centroid-to-centroid distance of 3.6664 (8) Å. N—H...O hydrogen bonds between molecules generate a `step' structure through formation of anR22(10) ring.

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