scholarly journals Crystal structure of 5,5′-dibromo-3,3′-di-tert-butyl-6,6′-dimethylbiphenyl-2,2′-diol

2015 ◽  
Vol 71 (5) ◽  
pp. o278-o279
Author(s):  
Rika Obata ◽  
Shigeru Ohba ◽  
Yasuaki Einaga ◽  
Shigeru Nishiyama
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Rotation Symmetry ◽  
Π Interactions ◽  
Tert Butyl ◽  
Compound C ◽  
Hydroxy Groups

The whole molecule of the title compound, C22H28Br2O2, is generated by twofold rotation symmetry. The dihedral angle of the biphenyl moiety is 85.05 (11)°. The hydroxy groups show intramolecular O—H...π interactions without any other hydrogen-bond acceptors. In the crystal, there are no other significant intermolecular interactions present.

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 4-chloro-2-{(E)-[(3,4-dimethylphenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (6) ◽  
pp. o416-o416 ◽  
Author(s):  
Muhammad Salim ◽  
Muhammad Nawaz Tahir ◽  
Munawar Ali Munawar ◽  
Muhammad Shahid ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Acta Cryst ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H14ClNO, which is isostructural with its bromo analogue [Tahiret al.(2012).Acta Cryst., E68, o2730], the dihedral angle between the planes of the aromatic rings is 2.71 (7)° and an intramolecular O—H...N hydrogen bond closes anS(6) ring. In the crystal, extremely weak C—H...π interactions link the molecules into a three-dimensional network.

scholarly journals Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide

2019 ◽  
Vol 75 (7) ◽  
pp. 939-941
Author(s):  
Victor A. Trush ◽  
Nataliia S. Kariaka ◽  
Viktoriya V. Dyakonenko ◽  
Svitlana V. Shishkina ◽  
Vladimir M. Amirkhanov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Metal Ions ◽  
Intermolecular Interactions ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Bidentate Chelate ◽  
Intramolecular Hydrogen

In the title compound, C20H18NO3P, the C=O and P=O groups of the carbacylamidophosphate (CAPh) fragments are located in a synclinal position relative to each other and are pre-organized for bidentate chelate coordination of metal ions. The N—H group is involved in the formation of an intramolecular hydrogen bond. In the crystal, molecules do not form strong intermolecular interactions but the molecules are linked via weak C—H...π interactions, forming chains along [001].

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].

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 of mandipropamid

2015 ◽  
Vol 71 (10) ◽  
pp. o727-o728
Author(s):  
Hyunjin Park ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Supramolecular Chains

In the title compound, C23H22ClNO4(systematic name: (RS)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-ynyloxy)acetamide), an amide fungicide, the dihedral angle between the chlorobenzene and benzene rings is 65.36 (6)°. In the crystal, N—H...O hydrogen bonds lead to zigzag supramolecular chains along thecaxis (glide symmetry). These are connected into layers by C—H...O and C—H...π interactions; the layers stack along theaaxis with no specific intermolecular interactions between them.

scholarly journals Crystal structure of an aryl cyclohexyl nonanoid, an antiproliferative molecule isolated from the spiceMyristica malabarica

2016 ◽  
Vol 72 (10) ◽  
pp. 1408-1411 ◽  
Author(s):  
Ajoy Kumar Bauri ◽  
Sabine Foro ◽  
Nhu Quynh Nguyen Do
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
One Dimensional ◽  
Compound C ◽  
Planar Conformation ◽  
Ribbon Structures ◽  
Hydroxy Groups

The title compound, C21H26O5, an aryl cyclohexyl nonanoid {systematic name: 3,5-dihydroxy-2-[9-(4-hydroxyphenyl)nonanoyl]cyclohexa-2,4-dien-1-one}, extracted from the spice plantMyristica malabaricacomprises two ring components, a 4-hydroxyphenyl moiety and a 3,5-dihydroxycyclohexa-2,4-dienone moiety linked by a nonanoyl chain. The molecule has an extended essentially planar conformation stabilized by an intramolecular hydroxy O—H...Ocarbonylhydrogen bond, giving a dihedral angle between the two ring systems of 6.37 (15)°. The C, O and H atoms associated with one of the hydroxy groups of the cyclohexadienone component are disordered over two sets of sites with site occupancies of 0.6972 and 0.3028. In the crystal, hydroxy O—H...O hydrogen bonds to carbonyl O-atom acceptors form large centrosymmetricR22(36) cyclic dimers, which are further extended into supramolecular one-dimensional ribbon structures along [1-11].

scholarly journals Crystal structure of 15-(2-chlorophenyl)-6b-hydroxy-17-methyl-6b,7,16,17-tetrahydro-7,14a-methanonaphtho[1′,8′:1,2,3]pyrrolo[3′,2′:8,8a]azuleno[5,6-b]quinolin-14(15H)-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1091-o1092 ◽  
Author(s):  
J. M. Joseph ◽  
Vijayan Viswanathan ◽  
Devadasan Velmurugan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C34H25ClN2O2, the fused pyrrolidine ring adopts an envelope conformation with the N atom as the flap. The two adjacent cyclopentane rings also adopt envelope conformations. The mean plane of the pyrrolidine ring makes dihedral angles of 40.53 (10) and 80.23 (10)° with the mean planes of the cyclopentane rings. The dihedral angle between the mean planes of the cyclopentane rings is 46.71 (9)°. An intramolecular O—H...N hydrogen bond is observed. In the crystal, molecules are linked by C—H...O, C—H...N and C—H...π interactions, forming a layer parallel to (10-2).

scholarly journals Crystal structure of 1-{2-[(2-methoxyphenyl)selanyl]phenyl}-4-phenyl-1H-1,2,3-triazole

2015 ◽  
Vol 71 (3) ◽  
pp. o202-o203
Author(s):  
Leandro R. S. Camargo ◽  
Julio Zukerman-Schpector ◽  
Anna M. Deobald ◽  
Antonio L. Braga ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
C And N

In the title compound, C21H17N3OSe, the dihedral angles between the central five-membered ring and the C- and N-bound rings are 17.89 (10) and 42.35 (10)°, respectively, indicating the molecule is twisted. The dihedral angle between the Se-bound rings is 85.36 (10)°. A close intramolecular Se...O contact of 2.8507 (13) Å is noted. In the crystal, C—H...O, C—H...N and C—H...π interactions lead to the formation of supramolecular layers parallel to (011); these stack with no specific intermolecular interactions between them.

scholarly journals Crystal structure of 1,2-bis((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfane

2016 ◽  
Vol 72 (3) ◽  
pp. 337-339 ◽  
Author(s):  
M. A. A. A. A. Islam ◽  
M. C. Sheikh ◽  
M. H. Islam ◽  
R. Miyatake ◽  
E. Zangrando
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Single Bond ◽  
Π Interactions ◽  
Compound C

The title compound, C32H30N4O2S4, consists of two Schiff base moieties, namely twoS-benzyl-β-N-(2-hydroxyphenylethylidene)dithiocarbazate groups, which are connected through an S—S single bond. These two moieties are twisted with respect to each other, with a dihedral angle of 87.88 (4)° between the S2C=N planes. A bifurcated intramolecular O—H...(N,S) hydrogen bond is observed in each moiety. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds into inversion dimers. The dimers are further stacked in a column along thebaxis through weak C—H...π interactions.

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