scholarly journals (E)-3-(4-Cyclohexyl-3-fluorobenzylidene)chroman-4-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1972-o1972 ◽  
Author(s):  
Kaalin Gopaul ◽  
Mahidansha M. Shaikh ◽  
Neil A. Koorbanally ◽  
Deresh Ramjugernath ◽  
Bernard Omondi
Keyword(s):  
Electron Density ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Density Peaks ◽  
Residual Electron Density

The title compound, C22H21FO2, exhibits substitutional disorder of the F atom and a H atom in the asymmetric unit with different occupancies, the refined F:H ratio being 0.80 (2):0.20 (2). The dihedral angle between the fluorinated benzene ring and the benzene ring of the chromanone system is 37.30°. There are two relatively high residual electron-density peaks associated with the disorder.

scholarly journals 1,2-Bis(1H-tetrazol-5-yl)benzene dihydrate

2009 ◽  
Vol 65 (6) ◽  
pp. o1331-o1331 ◽  
Author(s):  
Hai-Jun Xu ◽  
Yi-Jie Pan ◽  
Li-Jing Cui
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Tetrazole Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C

The asymmetric unit of the title compound, C8H6N8·2H2O, contains one half-molecule, with the benzene ring on a centre of symmetry, and two uncoordinated water molecules. The benzene ring is oriented at a dihedral angle of 34.43 (12)° with respect to the tetrazole ring. Strong O—H...N hydrogen bonds link the water molecules to the N atoms of the tetrazole ring. In the crystal structure, strong intermolecular O—H...O and O—H...N hydrogen bonds link the molecules into a network. One of the water H atoms is disordered over two positions and was refined with occupancies of 0.50.

scholarly journals Methyl 2-(4-methoxy-3-nitrobenzamido)acetate

2012 ◽  
Vol 68 (8) ◽  
pp. o2343-o2343
Author(s):  
Xin Zhu ◽  
Qiujuan Ma
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
A Chain

The title compound, C11H12N2O6, crystallizes with two independent molecules in the asymmetric unit, which differ slightly in conformation. The dihedral angle between the amide O=C—N plane and the attached benzene ring is 19.5 (3)° in one molecule and 23.4 (3)° in the other. In the crystal, the two independent molecules are connected alternately by N—H...O hydrogen bonds, forming a chain along theaaxis.

scholarly journals N-Ethyl-2-[1-(2-hydroxy-4-methylphenyl)ethylidene]hydrazinecarbothioamide

2014 ◽  
Vol 70 (6) ◽  
pp. o735-o735 ◽  
Author(s):  
Brian J. Anderson ◽  
Jeffrey R. Hall ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Planar Conformation ◽  
The Mean ◽  
Independent Molecules

The title compound, C12H17N3OS, crystallizes with two independent molecules (AandB) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the hydrazinecarbothioamide group are 6.9 (4) and 37.2 (5)° in moleculesAandB, respectively. An intramolecular O—H...N hydrogen bond is observed in each molecule. This serves to maintain an approximately planar conformation for moleculeA, but leaves a significant twist between these two groups in moleculeB. In the crystal, a weak N—H...S interaction is observed, forming inversion dimers among theBmolecules and resulting in anR22(8) motif. These dimers are further interconnected by weak N—H...O and C—H...O intermolecular interactions, forming chains along [011].

scholarly journals N,N′-(Ethane-1,2-diyl)bis(2-chlorobenzamide)

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
U. Mohamooda Sumaya ◽  
D. Reuben Jonathan ◽  
E. R. A. Dravida Thendral ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Amide Group ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Two Component

The title compound, C16H14Cl2N2O2, crystallized with one half-molecule in the asymmetric unit; the whole molecule is generated by inversion symmetry, the center of inversion being situated at the middle of the bridging –CH2—CH2– bond. The dihedral angle between the amide group and the benzene ring is 52.4 (2)°. In the crystal, molecules are linked by two pairs of N—H...O hydrogen bonds forming a ladder-like structure propagating along thea-axis direction and enclosingR22(14) ring motifs. The compound was refined as a two-component twin [BASF = 0.18 (1)].

1,9-Diazahexacyclo[17.6.1.13,7.19,16.010,15.020,25]hexacosa-3,5,7(26),10(15),11,13,16(27),17,19(28),20(25),21,23-dodecaene

2006 ◽  
Vol 62 (5) ◽  
pp. o1809-o1811 ◽  
Author(s):  
G. Senthil Kumar ◽  
K. Chinnakali ◽  
M. Gayatri Swaroop ◽  
P. Rajakumar ◽  
Hoong-Kun Fun
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotational Symmetry ◽  
Indole Ring ◽  
Asymmetric Unit ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C

The title compound, C26H20N2, has one half-molecule in the asymmetric unit. The molecular twofold rotational symmetry is preserved on crystallization. The dihedral angle between the two symmetry-related indole ring systems is 49.65 (4)°. The benzene ring is oriented almost perpendicular [dihedral angle 86.02 (3)°] to the planes of both indole ring systems. Molecules related by a centre of inversion are linked via intermolecular C—H...π interactions to form chains along the c axis.

scholarly journals Crystal structure of (E)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one: a second monoclinic polymorph

2015 ◽  
Vol 71 (10) ◽  
pp. o741-o742
Author(s):  
Muhammad Haroon ◽  
Tashfeen Akhtar ◽  
Muhammad Nawaz Tahir
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Compound C ◽  
Independent Molecules ◽  
Atomic Coordinates

The title compound, C17H13ClO, is the second monoclinic polymorph to crystallize in the space groupP21/c. The first polymorph crystallized with two independent molecules in the asymmetric unit [Bolognesiet al.(1975).Acta Cryst.A31, S119;Z′ = 2; no atomic coordinates available], whereas the title compound hasZ′ = 1. In the title polymorph, the dihedral angle between the plane of the benzene ring of the tetralone moiety and that of the 4-chlorobenzyl ring is 52.21 (11)°. The cyclohex-2-en-1-one ring of the tetralone moiety has a screw-boat conformation. In the crystal, molecules are liked by pairs of C—H...π interactions forming inversion dimers. There are no other significant intermolecular interactions present.

scholarly journals 2-{[(2-Methoxynaphthalen-1-yl)methyl]amino}phenol

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Sara Mahdjoub ◽  
Raouf Boulcina ◽  
Abdelmadjid Debache ◽  
Nadir Ghichi ◽  
Hocine Merazig
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C ◽  
Amino Phenol ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H17NO2, contains two independent molecules (AandB). The dihedral angle between the naphthalene ring system and the benzene ring is 74.67 (10)° in moleculeAand 78.81 (9)° in moleculeB. In the crystal, molecules are linked by a series of C—H...π interactions, forming sheets parallel to theabplane.

scholarly journals 1-(2,4-Difluorophenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2460-o2460 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Prakash S. Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C7H6F2N2S, consists of two independent molecules, with comparable geometries. In one molecule, the thiourea moiety is essentially planar (r.m.s. deviation = 0.014 Å) and it forms a dihedral angle of 78.67 (9)° with the benzene ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.011 Å and 81.71 (8)°, respectively. In both molecules, one of the F atoms is disordered over two positions with refined site occupancies of 0.572 (3):0.428 (3) and 0.909 (2):0.091 (2), respectively. In the crystal, molecules are linkedviaN—H...S and C—H...F hydrogen bonds into two-dimensional networks parallel to (010).

scholarly journals N-(3-Chloro-1-methyl-1H-indazol-5-yl)-4-methylbenzenesulfonamide

2014 ◽  
Vol 70 (2) ◽  
pp. o181-o181 ◽  
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Ouafa Amiri ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C15H14ClN3O2S, contains two independent molecules showing different conformations: in one molecule, the indazole ring system makes a dihedral angle of 51.5 (1)° with the benzene ring whereas in the other, the indazole unit is almost perpendicular to the benzene ring [dihedral angle 77.7 (1)°]. In the crystal, the molecules are linked by N—H...N and N—H...O hydrogen bonds, forming a set of four molecules linked in pairs about an inversion centre.

scholarly journals Crystal structure ofN-(2-{[2,6-bis(2,2,2-trifluoroacetamido)phenyl]disulfanyl}-3-(2,2,2-trifluoroacetamido)phenyl)-2,2,2-trifluoroacetamide

2015 ◽  
Vol 71 (9) ◽  
pp. o639-o640
Author(s):  
Dennis Awasabisah ◽  
Douglas R. Powell ◽  
George B. Richter-Addo
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Compound C

The title compound, C20H10F12N4O4S2, is an organic diaryl disulfide compound with trifluoroacetamide substituents at theortho-positions of each benzene ring. There are two molecules (labeledAandB) in the asymmetric unit. The F atoms of three of the –CF3groups exhibit rotational disorder over two positions each. The S—S bond distances are 2.0914 (7) and 2.0827 (6) Å for moleculesAandB, respectively. The dihedral angle between the S—S—C and S—C—C planes is 103.05 (15)° for moleculeAand 104.09 (15)° for moleculeB. The three-dimensional supramolecular architecture of the crystal is sustained by numerous N—H...O, N—H...S and C—H...O interactions.

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