Isonipecotate chloride

2006 ◽  
Vol 62 (4) ◽  
pp. o1250-o1251 ◽  
Author(s):  
Zhi-Cheng Ma ◽  
Xin-Hua Li
Keyword(s):  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

The structure of the title compound, C6H12NO2 +·Cl−, consists of an isonipecotate cation and a Cl− anion linked by intermolecular O—H...Cl and N—H...Cl interactions into a three-dimensional network structure.

4-Bromo-N-(3,4-methylenedioxybenzyl)aniline

2007 ◽  
Vol 63 (11) ◽  
pp. o4404-o4404 ◽  
Author(s):  
Shu-Ping Yang ◽  
Li-Jun Han ◽  
Da-Qi Wang ◽  
Hai-Tao Xia
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H12BrNO2, the molecules are linked by one C—H...Br hydrogen bond, so forming a C(13) chain running parallel to the [010] direction, and these chains are linked by further C—H...π and C—H...Br hydrogen bonds, resulting in a three-dimensional network structure.

scholarly journals N-[2-(2-Hydroxyethoxy)phenethyl]phthalimide

2012 ◽  
Vol 68 (6) ◽  
pp. o1636-o1636
Author(s):  
Er-Qun Yang ◽  
Jun-Tao Zhang ◽  
Xiao-Ping Cao ◽  
Jin-Zhong Gu
Keyword(s):  
Hydrogen Bond ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Benzene Rings

The title compound, C18H17NO4, was obtained accidentally through acid-catalysed aromatization of a phthalimide-substituted 2-(1-hydroxyethyl)cyclohex-2-enone. It exhibits an intramolecular O—H...Oc (c = carbonyl) hydrogen bond and forms a three-dimensional network structure via π–π stacking interactions between adjacent benzene rings (phthalimide-to-phenylene and phthalimide-to-phthalimide), with centroid–centroid distances of 3.8262 (6) and 3.6245 (5) Å.

scholarly journals 1,4-Dihydroxy-2,3-dinitro-9,10-anthraquinone

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Hydrogen Bonds ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H6N2O8, the anthraquinone unit is essentially planar [maximum deviation = 0.0645 (10) Å], and there are two intramolecular O–H...O hydrogen bonds formingS(6) motifs. The planes of the two nitro substituents make dihedral angles of 54.77 (8) and 55.60 (3)° with the anthraquinone ring system. In the crystal, molecules are linked by short intermolecular O...O contacts, leading to a three-dimensional network structure.

scholarly journals 7-Hydroxy-4-(hydroxymethyl)coumarin

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Jun-Hua Bai ◽  
Jin-Long Dong
Keyword(s):  
Hydrogen Bonds ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Coumarin Ring

In the title compound, C10H8O4, the almost planar coumarin ring system (r.m.s. deviation = 0.0216 Å from the plane through all 11 non-H atoms of the system) has hydroxymethyl and hydroxyl substituents at the 4- and 7-positions, respectively. In the crystal, two classical O—H...O hydrogen bonds generate a three-dimensional network structure.

scholarly journals Crystal structure of 1-fluoro-1,3-dihydrobenzo[c]thiophene 2,2-dioxide

2015 ◽  
Vol 71 (10) ◽  
pp. o749-o749
Author(s):  
Ying Zou ◽  
Zibin Qiu ◽  
Renming Tang ◽  
Kaixu Yuan ◽  
Ya Li
Keyword(s):  
Crystal Structure ◽  
Network Structure ◽  
Title Compound ◽  
Thiophene Ring ◽  
Three Dimensional ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network

In the title compound, C8H7FO2S, the thiophene ring has an envelope conformation, with the S atom bearing the two O atoms being the flap. In the crystal, molecules are linked by C—H...O and C—H...F interactions, generating a three-dimensional network structure.

scholarly journals N-[(1R,2S)-1-(4-Bromophenyl)-2-fluoro-3-(2-methylphenyl)-3-oxopropyl]-4-nitrobenzamide

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Yu-hang Luo ◽  
Yan Feng ◽  
Xin-ran Zhang ◽  
Jin-rong Zhang ◽  
Yi-Yang Chen ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Chiral Carbon ◽  
Dimensional Network ◽  
Phenyl Rings

The title compound, C23H18BrFN2O4, contains two chiral carbon centres and the absolute configuration has been confirmed as (1R,2S). The dihedral angles between the three phenyl rings are 12.4 (4), 34.2 (4) and 44.5 (4)°. In the crystal, molecules are linked by N—H...O hydrogen bonds into chains, which which are further connected by C—H...O interactions, generating a three dimensional network structure.

scholarly journals Crystal structure of 4,4′-diethynylbiphenyl

2015 ◽  
Vol 71 (7) ◽  
pp. 816-820
Author(s):  
Tei Tagg ◽  
C. John McAdam ◽  
Brian H. Robinson ◽  
Jim Simpson
Keyword(s):  
Crystal Structure ◽  
Network Structure ◽  
Title Compound ◽  
Triple Bond ◽  
Three Dimensional ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The title compound, C16H10, crystallizes with four unique molecules, designated 1–4, in the asymmetric unit of the monoclinic unit cell. None of the molecules is planar, with the benzene rings of molecules 1–4 inclined to one another at angles of 42.41 (4), 24.07 (6), 42.59 (4) and 46.88 (4)°, respectively. In the crystal, weak C—H...π(ring) interactions, augmented by even weaker C[triple-bond]C—H...π(alkyne) contacts, generate a three-dimensional network structure with interlinked columns of molecules formed along thec-axis direction.

scholarly journals 2-Methoxy-6-(6-methyl-1H-benzimidazol-2-yl)phenol

2009 ◽  
Vol 65 (6) ◽  
pp. o1256-o1256 ◽  
Author(s):  
Hui-Quan Xiao ◽  
Ming-Zhu Zhang ◽  
Wei Wang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Methyl Group ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C15H14N2O2is almost planar, the dihedral angle between the 6-methyl-1H-benzimidazole plane and the 2-methoxyphenol plane being 6.9 (2)°. An intramolecular O—H...N hydrogen bond is present. Adjacent molecules are linked by N—H...O hydrogen bonds into a three-dimensional network structure. The benzoimidazole methyl group and its attached C atom are positionally disordered in a 0.724 (4):0.276 (4) ratio.

scholarly journals Crystal structure of (E)-3-[4-(benzylideneamino)-5-sulfanylidene-3-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)-1-phenylpropan-1-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1080-o1081
Author(s):  
Hewen Wang
Keyword(s):  
Crystal Structure ◽  
Network Structure ◽  
Title Compound ◽  
Bond Angle ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network

The title compound, C32H28N4O2S, crystallizes as a racemate. In the molecule, the bond-angle sum at the C atom of the sulfanylidene entity bound to the triazole ring is 360°, with an annular N—C—N bond angle of 102.6 (2)° and two larger N—C—S angles of 127.3 (2) and 130.1 (2)°. The essentially planar 1,2,4-triazole ring (r.m.s. deviation = 0.013 Å) is nearly perpendicular to the phenylpropanone and methoxyphenyl rings , making dihedral angles of 76.9 (2) and 85.2 (2)°, respectively and subtends dihedral angles of 17.6 (2) and 40.3 (2)° with the tolyl and benzylideneamino rings, respectively. There is no π–π stacking between the molecules. The crystal packing is dominated by weak C—H...O and C—H...N interactions, leading to a three-dimensional network structure. An intramolecular C—H...S interaction also occurs.

scholarly journals 6-Methyl-1,4-bis[(pyridin-2-yl)methyl]quinoxaline-2,3(1H,4H)-dione

IUCrData ◽  
2017 ◽  
Vol 2 (11) ◽  
Author(s):  
Ayman Zouitini ◽  
Youssef Kandri Rodi ◽  
Fouad Ouazzani Chahdi ◽  
Jerry P. Jasinski ◽  
Manpreet Kaur ◽  
...  
Keyword(s):  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

The title compound, C21H18N4O2, crystallizes with one independent molecule in the asymmetric unit. The 6-methylquinoxaline-2,3(1H,4H)-dione unit is essentially planar. The dihedral angles between the mean plane of the 6-methylquinoxaline-2,3(1H,4H)-dione ring and its pendant pyridin-2-yl rings are 85.1 (3) and 73.8 (4)°. The pyridin-2-yl rings are inclined pointing away from the 6-methylquinoxaline-2,3(1H,4H)-dione ring system. In the crystal, molecules are linked by weak C—H...O interactions, forming a three-dimensional network structure.

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