Crystal Structure of 4-(1-Hydroxypropyl)- isochroman-1,3-dione

2009 ◽  
Vol 64 (3) ◽  
pp. 328-330 ◽  
Author(s):  
Akoun Abou ◽  
Severin D. Goulizan Bi ◽  
Leopold Kaboré ◽  
Abdoulaye Djandé ◽  
Adama Saba ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Stacking Interactions ◽  
Triclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Π Stacking

The title compound (C12H10O4) crystallizes in the triclinic space group P1̄ with a = 7.367(3), b = 8.1188(3), c = 9.549(5) Å, α = 74.034(1)°, β = 84.374(2)°, γ = 64.581(3)°, Z = 2, and dcalc = 1.462 g cm−3. It exhibits a strong intramolecular O-H···O hydrogen bond and exists as the exocyclic enolic tautomer as it has been observed in solution. The structure is stabilized by C-H···π, C-O···π and π-π stacking interactions between benzene and pyran rings.

scholarly journals Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

2015 ◽  
Vol 71 (8) ◽  
pp. o556-o557
Author(s):  
Aarti Dalal ◽  
Ramesh C. Kamboj ◽  
Dinesh Kumar ◽  
Mahendra Kumar Sharma ◽  
Nagendran Selvarajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Photochemical Transformation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C19H12ClF3O3, obtained by the photochemical transformation of 2-[5-chloro-2-(prop-2-ynyloxy)benzoyl]-3-[4-(trifluoromethyl)phenyl]oxirane adopts aZconformation with respect to the enolic C=C double bond. The dihedral angle between the benzene rings is 12.25 (16)° and an intramolecular O—H...O hydrogen bond closes anS(6) ring. An intramolecular C—H...O interaction also leads to anS(6) ring. In the crystal, very weak C—H...O interactions and short Cl...Cl contacts [3.3221 (16) Å] are seen, as well as weak aromatic π–π stacking interactions [centroid–centroid separation = 3.879 (2) Å].

scholarly journals A second polymorph of 3,4-bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Lisanne Becker ◽  
Kai Altenburger ◽  
Anke Spannenberg ◽  
Perdita Arndt ◽  
Uwe Rosenthal
Keyword(s):  
Title Compound ◽  
Membered Ring ◽  
Stacking Interactions ◽  
Triclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Π Stacking ◽  
The Press ◽  
Thiadiazole Ring

The title compound, C12H6Br2N4S, a second polymorph in the triclinic space groupP-1, is presented. As in the earlier reported monoclinic polymorph in the space groupC2/c[Beckeret al.(2016).Chem. Eur. J.In the press], the thiadiazole ring is planar with an r.m.s. deviation of 0.004 Å. The five-membered ring is tilted with respect to the two pyridyl substituents by 23.16 (7) and 49.47 (9)°. In the crystal, molecules are linked by a weak non-bonding Br...N interaction [3.056 (3) Å]. Furthermore, a column of molecules is established along thebaxis by π–π stacking interactions between the pyridine rings [centroid–centroid distances = 3.7014 (16) and 3.5934 (15) Å]. Additionally, a short intermolecular Br...Br contact [3.3791 (6) Å] and Br...π-aryl contacts [3.6815 (11)–3.7659 (12) Å] towards the thiadiazole and pyridine rings are found.

7-Nitro-2-phenyl-4H-3,1-benzoxazin-4-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4226-o4227 ◽  
Author(s):  
Zulfiqar Ali Khan ◽  
Khalid M. Khan ◽  
Shazia Anjum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Ambient Temperature ◽  
Title Compound ◽  
Benzoyl Chloride ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The title compound, C14H8N2O4, was synthesized by reacting p-nitroanthranilic acid and benzoyl chloride at ambient temperature. The structure is stabilized by an intramolecular C—H...O hydrogen bond and an intermolecular C—H...O hydrogen bond. Additionally, weak π–π stacking interactions [centroid–centroid distance 3.6 (17) Å] between adjacent molecules further stabilize the crystal structure and form parallel layers along the b axis.

scholarly journals Crystal structure of (4Z)-4-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one

2015 ◽  
Vol 71 (6) ◽  
pp. o393-o394
Author(s):  
Muhammad Shahid ◽  
Munawar Ali Munawar ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Salim ◽  
Khizar Iqbal Malik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules ◽  
Centrosymmetric Dimers

In the the asymmetric unit of the title compound, C19H15ClN2O2, there are two symmetry-independent molecules, which adopt similar conformations. The largest difference is observed in the dihedral angles between the phenyl and the pyrazole fragments [17.00 (12) and 23.42 (10)°]. A strong intramolecular O—H...O hydrogen bond with theS(6) motif is observed in both molecules. Pairs of π–π stacking interactions between the phenyl groups [centroid–centroid distances = 3.6627 (13) and 3.7156 (14) Å] assemble the molecules into two types of centrosymmetric dimers. Weak C—H...O interactions connect molecules into chains along thebaxis.

scholarly journals Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone

2014 ◽  
Vol 70 (10) ◽  
pp. o1130-o1130 ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In an attempt to brominate 1,4-dipropoxy-9,10-anthraquinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The molecule is essentially planar (r.m.s. deviation = 0.029 Å) and two intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds, Br...O contacts [3.240 (5) Å], and π–π stacking interactions [shortest centroid–centroid separation = 3.562 (4) Å], generating a three-dimensional network.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

1-{[5-Fluoro-2-(trifluoromethyl)phenyl]iminomethyl}-2-naphthol

2007 ◽  
Vol 63 (3) ◽  
pp. o1407-o1408
Author(s):  
Yun-Fa Zheng ◽  
Liang-Gui Wang ◽  
Guo-Bing Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Stacking Interactions ◽  
Dimensional Chain ◽  
One Dimensional ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C18H11F4NO, a Schiff base, has been structurally characterized. One intramolecular hydrogen bond influences the conformation of the molecule. The crystal structure is extended into a one-dimensional chain along the c axis via π–π stacking interactions.

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.

Diphenylcarbonohydrazide–phenylsemicarbazide (1/1)

2006 ◽  
Vol 62 (5) ◽  
pp. o1719-o1721
Author(s):  
Chun-Xia Wei ◽  
Jian-Xin Chen ◽  
Zhong-Shui Li ◽  
Ting-Yan Lan ◽  
Yuan-Biao Huang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking

In the title compound, C13H14N4O·C7H9N3O, a phenylcarbonohydrazide molecule cocrystallizes with a phenylsemicarbazide molecule. In the crystal structure, extensive hydrogen-bonding and π–π stacking interactions stabilize the structure.

1,3:4,6-Di-O-benzylidene-N-cinnamyl-2,5-dideoxy-2,5-imino-L-iditol

2006 ◽  
Vol 62 (7) ◽  
pp. o3115-o3116 ◽  
Author(s):  
Chu-Yi Yu ◽  
Ying Fu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking

In the crystal structure of the title compound, C29H27NO5, the molecules assemble into a network structure by both intermolecular C—H...O hydrogen bonding and C—H...π stacking interactions.

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