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1.
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
2.
John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o209-o211
The title compound (C6H7NO3S) exists as a zwitterion (4‐ammoniobenzenesulfonate), +H3NC6H4SO3?, and these units are linked into a three‐dimensional framework by two distinct two‐centre N—H?O hydrogen bonds [H?O 1.84 and 1.87 Å; N?O 2.767 (2) and 2.746 (2) Å; N—H?O 166 and 172°] and a planar three‐centre N—H?(O)2 hydrogen bond [H?O 2.03 and 2.37 Å; N?O 2.816 (2) and 2.877 (2) Å; N—H?O 162 and 111°; O?H?O 86°]. 相似文献
3.
Hugh W. Thompson Andrew P. J. Brunskill Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1507-1509
In the monohydrate of the title compound, (+)‐2β,4aα‐dihydroxy‐1,7‐dimethyl‐8‐oxo‐4bβ,7α‐gibbane‐1α,10β‐dicarboxylic acid‐1,4a‐lactone, C19H24O6·H2O, intermolecular hydrogen bonding progresses helically along b from carboxyl to ketone [O?O = 2.694 (5) Å]. The carboxyl and lactone carbonyl groups in translationally related molecules within a helix both accept hydrogen bonds from the same water of hydration. The oxygen of this water in turn accepts a hydrogen bond from the hydroxyl group of a third screw‐related molecule in an adjacent counterdirectionally oriented helix, yielding a complex three‐dimensional hydrogen‐bonding array. Intermolecular O?H—C close contacts were found to the carboxyl and lactone carbonyls, the hydroxyl, and the water. 相似文献
4.
Choudhury M. Zakaria John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o9-o10
Molecules of phthalimide [1H‐isoindole‐1,3(2H)‐dione], C8H5NO2, are linked by N—H?O hydrogen bonds [H?O 2.02 Å, N?O 2.8781 (16) Å and N—H?O 167°] and by C—H?O hydrogen bonds [H?O 2.54 and 2.56 Å, C?O 3.3874 (18) and 3.4628 (19) Å, and C—H?O 149 and 159°] into molecular ribbons, which are pierced by three different ring motifs; there are two centrosymmetric R(8) rings, each containing a single hydrogen bond, N—H?O in one case and C—H?O in the other, and R(9) rings containing all three hydrogen bonds. 相似文献
5.
Yang‐Yi Yang Xiao‐Ming Chen Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):e111-e112
In the asymmetric unit of the title compound, 2C12H24N+·C6H8O42?·H2O, the carboxylate ion lies about an inversion center, the water molecule is on a twofold axis and the sec‐ammonium cation is in a general position. Cations link the oxygen ends of two adjacent carboxylate anions to form an eight‐membered ring [N?O 2.683 (3) and 2.711 (3) Å]. The ion pair propagates as a linear chain and adjacent chains are linked through the water molecules [O?O 2.966 (3) Å] into layers. 相似文献
6.
Christopher Glidewell George Ferguson Richard M. Gregson Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):174-176
The title compound, [Ni(C7H5O3)2(C10H24N4)], contains octahedral NiII in a centrosymmetric trans configuration with Ni—N distances of 2.0637 (17) and 2.0699 (16) Å and an Ni—O distance of 2.1100 (14) Å. The molecules are linked by a single type of O—H?O hydrogen bond [O?O 2.618 (2) Å and O—H?O 161°] into two‐dimensional sheets; a singletype of N—H?O hydrogen bond [N?O 2.991 (2) Å and N—H?O 139°] links these sheets into a three‐dimensional framework. 相似文献
7.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):683-686
The title compound, [Ni2(C8H4O4)(C10H24N4)2(H2O)2](ClO4)2, contains two independent octahedral NiII centres with trans‐NiN4O2 chromophores. The bridging benzenedicarboxylate ligand is bonded to the two Ni atoms, each via one O atom of each carboxylate, while the other O atom participates in an intramolecular N—H?O hydrogen bond, forming an S(6) motif. The cations are linked to the perchlorate anions via O—H?O and N—H?O hydrogen bonds [O?O 2.904 (6) and 2.898 (6) Å; O—H?O 158 (6) and 165 (6)°; N?O 3.175 (7) and 3.116 (7) Å; N—H?O 168 and 166°] to form molecular ladders. These ladders are linked by further O—H?O and N—H?O hydrogen bonds [O?O 2.717 (6) and 2.730 (5) Å; O—H?O 170 (4) and 163 (6)°; N?O 3.373 (7) and 3.253 (7) Å; N—H?O 163 and 167°] to form a continuous three‐dimensional framework. The perchlorate anions both participate in three hydrogen bonds, and both are thus fully ordered. 相似文献
8.
Masood Parvez M. Saeed Arayne Rizwana Sabri Najma Sultana 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e398-e399
The absolute configuration was determined for the title compound, C38H70NO13+·Cl?·3.5H2O. The cation contains a 14‐membered macrocyclic lactone and two sugars, namely cladinose and desosamine. The six‐membered rings of the sugars adopt chair conformations. The structure is stabilized by strong hydrogen bonds, with O?O distances in the range 2.486 (9)–2.830 (5) Å; other distances are N?O = 2.860 (5), N?Cl = 3.134 (4) and O?Cl = 3.303 (4) Å. 相似文献
9.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m5-m7
In ferrocene‐1,1′‐diylbis(diphenylmethanol)–2,2′‐dipyridylamine (1/1), [Fe(C18H15O)2]·C10H9N3, (I), there is an intramolecular O—H?O hydrogen bond [H?O 2.03 Å, O?O 2.775 (2) Å and O—H?O 147°] in the ferrocenediol component, and the two neutral molecular components are linked by one O—H?N hydrogen bond [H?N 1.96 Å, O?N 2.755 (2) Å and O—H?N, 157°] and one N—H?O hydrogen bond [H?O 2.26 Å, N?O 3.112 (2) Å and N—H?O 164°] forming a cyclic R(8) motif. One of the pyridyl N atoms plays no part in the intermolecular hydrogen bonding, but participates in a short intramolecular C—H?N contact [H?N 2.31 Å, C?N 2.922 (2) Å and C—H?N 122°]. 相似文献
10.
G. Vasuki V. Parthasarathi K. Ramamurthi D. P. Jindal S. Dubey 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1062-1063
The title compound, C25H31NO2·H2O, has the outer two six‐membered rings in chair conformations, while the central ring is in an 8β,9α‐half‐chair conformation. The five‐membered ring adopts a 13,14‐half‐chair conformation. The pyridylmethylene moiety has an E configuration with respect to the carbonyl group at position 17. The structure is stabilized by intermolecular O—H?N and O—H?O hydrogen bonds. 相似文献
11.
S. Shanmuga Sundara Raj H. Surya Prakash Rao L. Sakthikumar Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1113-1114
In the crystal structure of the title compound, C3H3NO2S2, the four‐membered C2S2 ring is planar, as is the whole molecule. The short intramolecular S?O distance of 2.687 (2) Å shows the five‐atom system to be conjugated. The molecules pack as a two‐dimensional network in the (010) plane through short intermolecular S?O [2.900 (2) and 3.077 (2) Å] interactions. 相似文献
12.
Graham Smith Raymond C. Bott Daniel E. Lynch 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1155-1156
The 1:1 adduct of 4‐aminobenzoic acid (PABA) with 4‐am‐inobenzonitrile (PABN), C7H7NO2·C7H6N2, consists of a primary centrosymmetric cyclic hydrogen‐bonded PABA dimer interaction [O?O 2.640 (3) Å] peripherally linked into chains by weaker hydrogen bonds via a head‐to‐tail PABN interaction [N?N 3.179 (4) and N?O 3.062 (4) Å], and is linked between the chains by amine‐N (PABN) to amine‐N (PABA) interactions [N?N 3.233 (5) Å]. No proton transfer occurs. 相似文献
13.
Alexander V. Pestov Eugenia V. Peresypkina Alexander V. Virovets Nina V. Podberezskaya Yury G. Yatluk Yury A. Skorik 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m510-m512
The CuII ion in the title complex, [Cu(C5H10NO3)2] or [Cu(He‐ala)2] [He‐ala = N‐(2‐hydroxyethyl)‐β‐alaninate], resides at the inversion centre of a square bipyramid comprised of two facially arranged tridentate He‐ala ligands. Each He‐ala ligand binds to a CuII ion by forming one six‐membered β‐alaninate chelate ring in a twist conformation and one five‐membered ethanolamine ring in an envelope conformation, with Cu—N = 2.017 (2) Å, Cu—OCOO = 1.968 (1) Å and Cu—OOH = 2.473 (2) Å. The [Cu(He‐ala)2] molecules are involved in a network of O—H⋯O and N—H⋯O hydrogen bonds, forming layers parallel to the (10) plane. The layers are connected into a three‐dimensional structure by van der Waals interactions, so that the molecular centres form pseudo‐face‐centered close packing. 相似文献
14.
Lesaw Siero Maria Bukowska‐Strzyewska 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):19-21
In the title dimeric complex, [Cu2(C4H4O4)2(C7H6N2S)4], which possesses a centre of symmetry, the Cu atoms are enclosed in a 14‐membered ring. They adopt a distorted square‐bipyramidal (4+2) coordination. The four closest donor atoms are two N atoms of 2‐aminobenzothiazole ligands and two O atoms of the succinate carboxylate groups. They form a square‐planar cis arrangement, with an average Cu—N distance of 2.003 (3) Å and Cu—O distances of 1.949 (3) and 1.965 (3) Å. Two longer Cu—O bonds of 2.709 (3) and 2.613 (3) Å involving the remaining O atoms of the carboxylate groups complete the sixfold coordination of the Cu atoms. The H atoms of each amino group of the 2‐aminobenzothiazole molecules form intra‐ and intermolecular N—H?O hydrogen bonds. A nearly perpendicular intermolecular C—H?Cg interaction (Cg is the centroid of the imidazole ring) is observed. The intramolecular Cu?Cu distance is 6.384 (2) Å. 相似文献
15.
Christopher Glidewell Debbie Cannon Antonio Quesada John N. Low Susan A. McWilliam Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):455-458
Molecules of 1,3‐diamino‐4‐nitrobenzene, C6H7N3O2, are linked by N—H?O hydrogen bonds [N?O 2.964 (2) and 3.021 (2) Å; N—H?O 155 and 149°] into (4,4) nets. In 3,5‐dinitroaniline, C6H5N3O4, where Z′ = 2, the molecules are linked by three N—H?O hydrogen bonds [N?O 3.344 (2)–3.433 (2) Å and N—H?O 150–167°] into deeply puckered nets, each of which is interwoven with its two immediate neighbours. 相似文献
16.
Chung‐Der Chen Andrew P. J. Brunskill Stan S. Hall Roger A. Lalancette Hugh W. Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1148-1151
α‐Oxobenzeneacetic (phenylglyoxylic) acid, C8H6O3, adopts a transoid dicarbonyl conformation in the solid state, with the carboxyl group rotated 44.4 (1)° from the nearly planar benzoyl moiety. The heterochiral acid‐to‐ketone catemers [O?O = 2.686 (3) and H?O = 1.78 (4) Å] have a second, longer, intermolecular O—H?O contact to a carboxyl sp3 O atom [O?O = 3.274 (2) and H?O = 2.72 (4) Å], with each flat ribbon‐like chain lying in the bc plane and extending in the c direction. In α‐oxo‐2,4,6‐trimethylbenzeneacetic (mesitylglyoxylic) acid, C11H12O3, the ketone is rotated 49.1 (7)° from planarity with the aryl ring and the carboxyl group is rotated a further 31.2 (7)° from the ketone plane. The solid consists of chiral conformers of a single handedness, aggregating in hydrogen‐bonding chains whose units are related by a 31 screw axis, producing hydrogen‐bonding helices that extend in the c direction. The hydrogen bonding is of the acid‐to‐acid type [O?O = 2.709 (6) and H?O = 1.87 (5) Å] and does not formally involve the ketone; however, the ketone O atom in the acceptor molecule has a close polar contact with the same donor carboxyl group [O?O = 3.005 (6) and H?O = 2.50 (5) Å]. This secondary hydrogen bond is probably a major factor in stabilizing the observed cisoid dicarbonyl conformation. Several intermolecular C—H?O close contacts were found for the latter compound. 相似文献
17.
George Ferguson Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):452-454
The title compound, N‐hydroxypropanamide, C3H7NO2, crystallizes with Z′ = 3 in P21/c. The molecules are linked by three N—H?O hydrogen bonds [N?O 2.8012 (16) to 2.8958 (15) Å; N—H?O 163 to 168°] and by three O—H?O hydrogen bonds [O?O 2.6589 (15) to 2.6775 (17) Å; O—H?O 165 to 177°] into a single three‐dimensional framework. 相似文献
18.
Orhan Büyükgüngr Mustafa OdabasÛoglu 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o691-o692
In the title compound, 2C5H7N2+·C4H4O42?·C4H6O4, cyclic eight‐membered hydrogen‐bonded rings exist involving 2‐aminopyridinium and succinate ions. The succinic acid and succinate moieties lie on inversion centres. Succinic acid molecules and succinate ions are linked into zigzag chains by O—H?O hydrogen bonds, with O?O distances of 2.6005 (16) Å. 相似文献
19.
N. T. Do Valle C. A. De Simone M. A. Pereira M. O. F. Goulart 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):566-567
Interest in the title structure, C20H24O2, lies in the novel cis ring junction between the three‐ and seven‐membered rings. This stereochemical arrangement causes the methylene moiety and the cycloheptane ring to be twisted out of the plane of the aromatic ring. The cyclopropane ring is also twisted out of the plane of the aromatic system. The molecules are linked by an O—H?O hydrogen bond [O?O 2.741 (3) Å]. 相似文献
20.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):830-832
The structure of the title compound, C9H8N4, comprises non‐planar molecules that associate via pyrimidine N—H?N dimer R(8) hydrogen‐bonding associations [N?N 3.1870 (17) Å] and form linear hydrogen‐bonded chains via a pyrimidine N—H?N(pyridyl) interaction [N?N 3.0295 (19) Å]. The dihedral angle between the two rings is 24.57 (5)°. The structure of the 1:1 adduct with 4‐aminobenzoic acid, C9H8N4·C7H7NO2, exhibits a hydrogen‐bonding network involving COOH?N(pyridyl) [O?N 2.6406 (17) Å], pyrimidine N—H?N [N?N 3.0737 (19) and 3.1755 (18) Å] and acid N—H?O interactions [N?O 3.0609 (17) and 2.981 (2) Å]. The dihedral angle between the two linked rings of the base is 38.49 (6)° and the carboxylic acid group binds to the stronger base group in contrast to the (less basic) complementary hydrogen‐bonding site. 相似文献