共查询到20条相似文献,搜索用时 22 毫秒
1.
Michael J. Goldcamp Jeanette A. Krause Bauer Michael J. Baldwin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e602-e603
Tris[2‐(benzoylamino)ethyl]amine [alternatively, N,N′,N′′‐(nitrilotriethyl)tribenzamide], C27H30N4O3, adopts a folded structure, forming a symmetrical cavity with an average depth of 7.3 Å and width ranging from 4.1–4.4 Å. The folded structure is a result of one intramolecular N—H?O hydrogen bond. A linear chain motif along the c axis best describes the extended intermolecular N—H?O hydrogen bonding. 相似文献
2.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):853-854
The title compound, C11H12O4, crystallized in the centrosymmetric space group Pbca with one molecule as the asymmetric unit. The two hydrogen bonds have OD?OA distances of 2.667 (2) and 2.628 (2) Å, and O—H?O angles of 179 (2) and 177 (2)°. Each hydrogen bond forms an R(8) cyclic dimer about a center of symmetry. The leading intermolecular C—H?O interaction has an H?O distance of 2.66 Å and a C—H?O angle of 160°. Taken together with the hydrogen bonds, it results in a three‐dimensional network of interactions. The structure is compared with that of a close analog, benzylmalonic acid. 相似文献
3.
Kamlakar Avasthi Deepa Bhagat Chandralata Bal Ashoke Sharon Umesh Yadav Prakas R. Maulik 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o409-o412
The crystal structure of 4,6‐bis(methylsulfanyl)‐1‐phthalimidopropyl‐1H‐pyrazolo[3,4‐d]pyrimidine, C18H17N5O2S2, (VI), reveals an unusual folded conformation due to an apparent intramolecular C—H⃛π interaction between the 6‐methylsulfanyl and phenyl groups. However, the closely related compound 6‐methylsulfanyl‐1‐phthalimidopropyl‐4‐(pyrrolidin‐1‐yl)‐1H‐pyrazolo[3,4‐d]pyrimidine, C21H22N6O2S, (VII), exhibits a fully extended structure, devoid of any intramolecular C—H⃛π or π–π interactions. The crystal packing of both molecules involves intermolecular stacking interactions due to aromatic π–π interactions. In addition, (VI) exhibits intermolecular C—H⃛O hydrogen bonding and (VII) exhibits dimerization of the molecules through intermolecular C—H⃛N hydrogen bonding. 相似文献
4.
Simon J. Garden Marilza B. Corrêa Angelo C. Pinto James L. Wardell John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o234-o238
In ethyl N‐[2‐(hydroxyacetyl)phenyl]carbamate, C11H13NO4, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the molecules are linked into simple chains by a single C—H⋯O hydrogen bond. The molecules of ethyl N‐[2‐(hydroxyacetyl)‐4‐iodophenyl]carbamate, C11H12INO4, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐[2‐(hydroxyacetyl)‐4‐methylphenyl]carbamate, C12H15NO4, crystallizes with Z′ = 2 in the space group P; pairs of molecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking interactions. 相似文献
5.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):850-852
The title acid, C19H15FO2, crystallized in the centrosymmetric space group P with one molecule as the asymmetric unit. There is a single hydrogen bond, with an OD?OA distance of 2.632 (2) Å and an OD—H?OA angle of 177 (3)°, which forms an R(8) cyclic dimer about a center of symmetry. There is a single leading intermolecular C—H?X interaction, with an H?F distance of 2.49 Å and a C—H?F angle of 147°. Three leading intramolecular C—H?X interactions appear to play a significant role in determining the orientation of the methyl and carboxyl groups. 相似文献
6.
Daniel Vega Daniel Fernndez Javier A. Ellena 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1092-1094
The title compound, raloxifene hydrochloride, C28H28NO4S+·Cl?, belongs to the benzothiophene class of antiosteoporotic drugs. In the molecular cation, the 2‐phenol ring sustains a dihedral angle of 45.3 (1)° relative to the benzo[b]thiophene system. The benzo[b]thiophene and phenyl ring planes are twisted with respect to the carbonyl plane, with the smallest twist component occurring between the phenyl and carbonyl planes. The N atom bears the positive charge in the molecular cation and the piperidine ring adopts an almost perfect chair conformation. The Cl? anion is involved in the formation of N—H?Cl and O—H?Cl intermolecular hydrogen bonds, which lead to the formation of a layer of molecular cations. 相似文献
7.
Cheng‐Rong Ding Zhi‐Min Jin Hai‐Bin Wang Mao‐Lin Hu He Lin 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):m203-m204
The title compound, (C6H14N2)[Cr3O10], consists of a diazabicyclo[2.2.2]octane‐1,4‐diium cation and a discrete trichromate anion linked by an N—H⋯O hydrogen bond. Three CrO4 tetrahedra are joined via shared O atoms to form the trichromate anion. Supramolecular rings, which can be described by the graph‐set motif (26), are built via N—H⋯O hydrogen bonds, and C—H⋯O interactions play lesser roles in forming the structure. 相似文献
8.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1222-1224
The title acid, C19H16O2, crystallized in the centrosymmetric space group Pnna with three molecules in the asymmetric unit (apparently the first reported instance of Z′ = 3 in this space group). Four intermolecular hydrogen bonds have OD?OA distances of 2.660 (2), 2.594 (2), 2.633 (2) and 2.646 (2) Å, and angles of 177 (2), 179 (2), 175 (2) and 175 (2)°. The four hydrogen bonds form two R(8) cyclic dimers, one about a twofold axis. Five leading intermolecular C—H?O interactions are present. Although first‐ and second‐level graph sets involving these nine interactions are dominated by finite patterns, a three‐dimensional network becomes evident upon analysis of higher‐level graphs. A number of intramolecular C—H?O interactions are also present. 相似文献
9.
Jesse K. Wong Rose Ann R. Macalintal Andrew P. J. Brunskill Roger A. Lalancette Hugh W. Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):371-373
Molecules of the title β‐keto acid, 7‐oxobicyclo[2.2.1]heptane‐1‐carboxylic acid, C8H10O3, exhibit chirality due to the bridgehead carboxyl group, which is partially ordered and has a slightly asymmetric conformation. The molecules form centrosymmetric hydrogen‐bonded carboxyl dimers [O?O 2.639 (2) Å]. The title alkenoic γ‐keto acid, ()‐7‐oxobicyclo[2.2.1]hept‐5‐ene‐2‐endo‐carboxylic acid, C8H8O3, also forms typical centrosymmetric hydrogen‐bonded carboxyl dimers [O?O 2.660 (3) Å]. There is partial disorder of the carboxyl group in each compound. 相似文献
10.
Makoto Eishima Shigeru Ohba Masumi Suzuki Chiaki Nagasawa Takeshi Sugai 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1391-1393
In the racemic crystals of (1S,2R)‐ or (1R,2S)‐1‐[N‐(chloroacetyl)carbamoylamino]‐2,3‐dihydro‐1H‐inden‐2‐yl chloroacetate, C14H14Cl2N2O4, (I), the enantiomeric molecules form a dimeric structure via the N—H?O cyclic hydrogen bond of the carbamoyl moieties. In the chiral crystals of (—)‐(1S,2R)‐1‐[N‐(chloroacetyl)carbamoylamino]‐2,3‐dihydro‐1H‐inden‐2‐yl chloroacetate, C14H14Cl2N2O4, (II), the N—H?O intermolecular hydrogen bond forms a zigzag chain around the twofold screw axis. The melting points and calculated densities of (I) and (II) are 446 and 396 K, and 1.481 and 1.445 Mg m?3, respectively. 相似文献
11.
Rahul Banerjee Samir Kumar Maji Arindam Banerjee 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1120-1121
The title compound, C25H44N4O5, exhibits a turn with the main chain reversing direction, held together by an intramolecular N—H?O hydrogen bond. In the urea fragment, a notable amide C—N bond between the carboxyl C and the tertiary N atom shows marked single‐bond character [1.437 (2) Å]. The dihedral angle of the β‐alanyl residue, centrally located in the turn, is gauche [69.2 (2)°]. The packing is mediated by two intermolecular hydrogen bonds and van der Waals contacts involving the methyl moieties and the cyclohexyl rings. 相似文献
12.
Ayhan Elmali Yaln Elerman Ingrid Svoboda 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):485-486
The title compound, N‐(5‐chloro‐2‐oxidobenzylidene)‐2‐hydroxy‐5‐methylanilinium, C14H12ClNO2, is a tridentate Schiff base with almost planar molecules. Each molecule contains a strong intramolecular N—H?O hydrogen bond [2.576 (2) Å]. There is also an intermolecular O—H?O hydrogen bond [2.695 (2) Å] linking neighbouring molecules into infinite chains along the [101] direction. 相似文献
13.
Jesus Bueno Manuel Melguizo M. Luisa Quijano John Nicolson Low 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o363-o366
The supramolecular structures of the isomeric compounds 5,7‐dimethoxyimidazo[1,2‐c]pyrimidine, C8H9N3O2, (I), and 7‐methoxy‐1‐methylimidazo[1,2‐a]pyrimidin‐5(1H)‐one, C8H9N3O2, (II), are determined by weak C—H⃛N and C—H⃛O hydrogen bonds in (I), which generate alternating linked centrosymmetric R(8) and R(10) rings that form a ribbon running parallel to the c axis, and by C—H⃛O bonds in (II), which link the molecules into sheets comprising centrosymmetric R(10) and R(22) rings. 相似文献
14.
Fang‐Jun Huo Cai‐Xia Yin Xiang‐Lin Jin Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o332-o335
The two title chromene compounds, 3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C16H12O2, (I), and 2‐(2‐hydroxybenzylidene)‐3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C19H14O3, (II), have been determined in the monoclinic space group P21/n. Compound (I) is mainly stabilized by C—H⋯π interactions. Compound (II) is linked into infinite one‐dimensional chains with a C(3) motif via intermolecular O—H⋯O hydrogen bonds. The intermolecular C—H⋯π and π–π interactions also play key roles in stabilizing the crystal packing. Two intramolecular C—H⋯O hydrogen bonds with S(5) motifs were detected in (II). 相似文献
15.
Masood Parvez Govindaraji Senthil Veejendra K. Yadav 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):577-579
The stereoisomers of 7‐phenyl‐1‐oxa‐4‐thiaspiro[4.5]decan‐7‐ol, C14H18O2S, have the same stereochemistry at the C atom bearing an OH group, i.e. axial OH and equatorial phenyl groups. However, the acetal S and O atoms are axial and equatorial, respectively, in one isomer and reversed in the second. Furthermore, the crystals of one isomer are composed of hydrogen‐bonded molecules involving the hydroxyl H atom and the O atom of the five‐membered heterocyclic ring, with an O?O distance of 2.962 (3) Å, forming a polymeric chain along the b axis. The asymmetric unit of the other isomer is composed of two molecules, wherein hydroxyl H atoms and the O atoms of the five‐membered heterocyclic rings display intramolecular O—H?O hydrogen bonds with O?O separations of 2.820 (2) and 2.834 (2) Å. 相似文献
16.
Jun Ni Yi‐Zhi Li Wen‐Bin Qi Yong‐Jiang Liu Hui‐Lan Chen Zhi‐Lin Wang 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):o470-o472
The title compound, 3,3′‐(4‐pyridylimino)dipropanenitrile, C11H12N4, has a twofold axis and consists of a pyridine ring head and two cyanoethyl tails, the three groups being linked by an N atom. The planar geometry around the amino N atom suggests conjugation with the π‐system of the pyridine ring. The molecules are stacked in a layer structure via relatively weak to very weak intermolecular C—H⃛π and C—H⃛N hydrogen‐bond interactions. 相似文献
17.
Zhi‐Min Jin Hui‐Min Zhang Hai‐Bin Wang Mao‐Lin Hu Liang Shen 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m572-m574
The title compound, (C6H14N2)[Cr2O7], consists of a diazabicyclo[2.2.2]octane‐1,4‐diium cation and a discrete dichromate anion, which are linked in the crystal by N—H⋯O hydrogen bonds. The cation is ordered and distorted, owing to the confinement and twist of the hydrogen bonds involved. Two CrO4 tetrahedra are joined through a shared O atom to form the dichromate anion. Chiral supramolecular chains of the title compound are built up via N—H⋯O hydrogen bonds, and C—H⋯O interactions play subordinate roles in forming the structure. 相似文献
18.
Markos M. Papadakis Sonia P. Martins Hugh W. Thompson Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o321-o322
The ring system of the title compound, C13H18O3, was synthesized by addition of ethyl acrylate to the dienamine of 2‐octalone. The keto acid aggregates in the solid as acid‐to‐acid dimers [O?O = 2.663 (2) Å and O—H?O = 170 (3)°] whose centrosymmetric hydrogen bonds lie across the a edges and the center of the chosen cell. Three intermolecular C—H?O close contacts within 2.7 Å were found involving the ketone group. 相似文献
19.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):674-676
The title compound, C21H18O2, crystallized in the centrosymmetric space group P21/n with one molecule in the asymmetric unit. There is a single hydrogen bond, with an Odonor?Oacceptor distance of 2.624 (2) Å, which forms a cyclic dimer about a center of symmetry. The carboxyl group O atoms are ordered, while the carboxyl‐H atom is disordered. A single leading intermolecular C—H?O interaction has an H?O distance of 2.68 Å and a C—H?O angle of 178°; this interaction forms chains. Taken together with the hydrogen bond, it generates chains and rings. Structural comparisons are made with trans‐cinnamic acid and with 4‐methyl‐trans‐cinnamic acid. 相似文献
20.
Allison J. Dobson Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1021-1023
The title compound, C16H10N2O6·2H2O, crystallized in the centrosymmetric triclinic space group P with one organic molecule and two water molecules as the asymmetric unit. Eight intermolecular hydrogen bonds have donor?acceptor distances in the range 2.602 (2)–3.289 (2) Å, with angles in the range 137 (2)–177 (2)°. These generate a three‐dimensional hydrogen‐bond network. There is a single intramolecular hydrogen bond. There are six significant intermolecular C—H?O interactions with H?O distances in the range 2.39–2.74 Å, and C—H?O angles in the range 131–157°. 相似文献