scholarly journals Crystal structure of 1-ferrocenyl-2-(4-methylbenzoyl)spiro[11H-pyrrolidizine-3,11′-indeno[1,2-b]quinoxaline]

2014 ◽  
Vol 70 (9) ◽  
pp. 124-126 ◽  
Author(s):  
Kuppan Chandralekha ◽  
Deivasigamani Gavaskar ◽  
Adukamparai Rajukrishnan Sureshbabu ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Twist Conformation

In the title compound, [Fe(C5H5)(C34H28N3O)], the four-fused-rings system of the 11H-indeno[1,2-b]quinoxaline unit is approximately planar [maximum deviation = 0.167 (4) Å] and forms a dihedral angle of 37.25 (6)° with the plane of the benzene ring of the methylbenzoyl group. Both pyrrolidine rings adopt a twist conformation. An intramolecular C—H...O hydrogen bond is observed. In the crystal, molecules are linked by C—H...O hydrogen bonds and weak C—H...π interactions, forming double chains extending parallel to thecaxis.

scholarly journals Crystal structure of (4Z)-4-{[(2-chlorophenyl)amino](furan-2-yl)methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

2015 ◽  
Vol 71 (3) ◽  
pp. o177-o178
Author(s):  
Heng-Qiang Zhang ◽  
Xing Yang ◽  
Qiong Wu ◽  
Hong-Li Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Keto Form ◽  
Π Interactions ◽  
Compound C

In the title compound, C21H16ClN3O2, the pyrazolone ring and the O=C—C=C—N mean plane [maximum deviation = 0.022 (2) Å] are nearly coplanar, making a dihedral angle 4.56 (8)°, while the phenyl and pyrazole rings subtend a dihedral angle of 19.75 (8)°. The compound is in the enamine–keto form and its structure is stabilized by an intramolecular N—H...O hydrogen bond. In the crystal, molecules are linkedviaC—H...N hydrogen bonds, forming chains along [010]. Between the chains there are π–π interactions [inter-centroid distances = 3.3902 (9) and 3.5956 (11) Å], linking the chains to form sheets parallel to (10-1).

scholarly journals Crystal structure ofN-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide

2016 ◽  
Vol 72 (1) ◽  
pp. 60-62 ◽  
Author(s):  
Ying Liang ◽  
Li-Qiao Shi ◽  
Zi-Wen Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C19H13ClF2N2O2, the conformation of the N—H bond in the amide segment isantito the C=O bond. The molecule is not planar, with dihedral angles between the central benzene ring and the outer benzene and pyridyl rings of 73.35 (7) and 81.26 (6)°, respectively. A weak intramolecular C—H...O hydrogen bond occurs. In the crystal, N—H...N, C—H...O and C—H...F hydrogen bonds lead to the formation of dimers. The N—H...N inversion dimers are linked by π–π contacts between adjacent pyridine rings [centroid–centroid = 3.8541 (12) Å] and C—H...π interactions. These contacts combine to stack the molecules along theaaxis.

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 (5R*)-5-[(2S*,5S*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5H)-one

2014 ◽  
Vol 70 (8) ◽  
pp. o839-o839
Author(s):  
Takeshi Oishi ◽  
Makoto Yoritate ◽  
Takaaki Sato ◽  
Noritaka Chida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Twist Conformation

In the title compound, C16H19NO3, the pyrrolidine ring is in a twist conformation. The dihedral angle between the dihydrofuran ring [maximum deviation = 0.0016 (11) Å] and the phenyl ring is 47.22 (8)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming helical chains along theb-axis direction. The chains are further linked by C—H...π interactions to constitute a three-dimensional architecture.

scholarly journals 3-Acetyl-1-(3-methylphenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2574-o2574 ◽  
Author(s):  
B. Thimme Gowda ◽  
Sabine Foro ◽  
Sharatha Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Side Chain ◽  
Maximum Deviation ◽  
Methyl Groups ◽  
Compound C ◽  
Ring Motif

In the crystal structure of the title compound, C10H12N2OS, the conformation of the two N—H bonds areantito each other. The amide C=O and the C=S are are alsoantito each other. The N—H bond adjacent to the benzene ring issynto them-methyl groups. The dihedral angle between the benzene ring and the side chain [mean plane of atoms C—C(O)N—C—N; maximum deviation 0.029 (2) Å] is 14.30 (7)°. There is an intramolecular N—H...O hydrogen bond generating anS(6) ring motif. In the crystal, the molecules are linkedviaN—H...) hydrogen bonds, forming chains propagating along [001]. The S atom is disordered and was refined using a split model [occupancy ratio 0.56 (4):0.44 (4)].

scholarly journals Crystal structure of (E)-furan-2-carbaldehydeO-benzoyloxime

2017 ◽  
Vol 73 (9) ◽  
pp. 1326-1328
Author(s):  
Yousef M. Hijji ◽  
Rajeesha Rajan ◽  
Said Mansour ◽  
Hamdi Ben Yahia
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Twist Angle ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
And Inversion

In the title compound, C12H9NO3, the benzoate and furan rings are almost coplanar, making a dihedral angle of 11.68 (9)°. The twist angle between the –COO group and the benzene ring is only 2.79 (16)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains along [100]. The molecules stack in a herringbone fashion and inversion-related chains are linked by offset π–π interactions [intercentroid distance = 3.931 (1) Å], forming ribbons propagating along thea-axis direction.

scholarly journals 2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

IUCrData ◽  
2018 ◽  
Vol 3 (4) ◽  
Author(s):  
Manisha Choudhury ◽  
Vijayan Viswanathan ◽  
Ajay Kumar Timiri ◽  
Barij Nayan Sinha ◽  
Venkatesan Jayaprakash ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C13H15N5O2S, the acetamide N—C(=O)—C plane makes dihedral angles of 30.51 (11) and 51.93 (11)°, respectively, with the benzene ring and the pyrimidine ring. The dihedral angle between the benzene and pyrimidine rings is 43.40 (6)°. There is an intramolecular N—H...N hydrogen bond with an S(7) ring motif. In the crystal, molecules are linked by pairs of intermolecular N—H...N hydrogen bonds, forming inversion dimers with an R 2 2(8) ring motif. The molecules are further linked by intermolecular N—H...O hydrogen bonds, forming a C(9) chain along [100]. Intermolecular C—H...π and N—H...π interactions are also observed.

scholarly journals Crystal structure of (E)-N′-(3-fluoro-2-hydroxybenzylidene)isonicotinohydrazide

2017 ◽  
Vol 73 (8) ◽  
pp. 1151-1153
Author(s):  
Suwadee Jiajaroen ◽  
Kittipong Chainok ◽  
Filip Kielar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C13H10FN3O2, the molecule has an E conformation with respect to the C=N bond of the hydrazone bridge. The dihedral angle between the isonicotinoyl and fluorophenol moieties is 4.03 (4)°, and an intramolecular O—H...N hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked by N—H...N and C—H...N hydrogen bonds, forming chains propagating along the a-axis direction. The chains are linked by C—H...O hydrogen bonds, resulting in the formation of layers lying parallel to the ab plane. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.6887 (8) Å].

3-[(2-Hydroxy-5-nitrophenyl)amino]-2-benzofuran-1(3H)-one monohydrate

2006 ◽  
Vol 62 (7) ◽  
pp. o3042-o3043 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C

The crystal structure of the title compound, C14H10N2O5·H2O, is stabilized by inversion-related O—H...O and C—H...O intermolecular hydrogen bonds and also by π–π interactions. The dihedral angle between the phthalide group and the benzene ring is 51.45 (8)°.

scholarly journals (N′,N′′Z,N′,N′′E)-N′,N′′-[1-(4-Chlorophenyl)ethane-1,2-diylidene]bis(3-methyl-1-benzofuran-2-carbohydrazide)

2012 ◽  
Vol 68 (8) ◽  
pp. o2405-o2406
Author(s):  
Hoong-Kun Fun ◽  
Tze Shyang Chia ◽  
Ahmed M. Alafeefy ◽  
Hatem A. Abdel-Aziz
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C28H21ClN4O4, the benzofuran ring systems make dihedral angles of 7.43 (8) and 30.92 (9)° with the chloro-substituted benzene ring. The dihedral angle between the two benzofuran ring systems is 27.41 (7)°. The two benzofuran rings are connected to the chloro-substituted benzene ring through C—N—N=C and C—N—N=C—C bridges which are nearly planar [maximum deviations = 0.003 (1) and 0.037 (1) Å]. An intramolecular N—H...N hydrogen bond generates anS(6) ring motif. In the crystal, molecules are linked by N—H...(O,N) and C—H...O hydrogen bonds into a tape along thecaxis and these tapes are further connected by another weak C—H...O hydrogen bond into a sheet parallel to thebcplane. π–π interactions [centroid-to-centroid distances = 3.4845 (12)–3.6250 (13) Å] are also observed.

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