共查询到7条相似文献,搜索用时 2 毫秒
1.
H. Ünver M. Yıldız D. Mehmet Zengin S. Özbey E. Kendi 《Journal of chemical crystallography》2001,31(4):211-216
N-(3-pyridil)-2-oxo-1-naphthylidenemethylamine (C16H12N2O) was studied by elemental analysis, IR, 1H NMR, and UV–visible techniques and X-ray diffraction methods. The UV–visible spectrum of the compound was investigated in solutions effect polarity. The polarity of the some solvents was modifierly the additional (CF3COOH) and [(C2H5)3N]. The compound is in tautomeric equilibrium (phenol-imine O–H···N and keto-amine O···H–N forms) in polar and nonpolar solvents. The keto-amine form is observed in basic solutions of DMSO, ethanol, chloroform, benzene, cyclohexane, and in acidic solutions of chloroform and benzene, but not in acidic solutions of DMSO and ethanol. The compound crystallizes in the monoclinic, space group P21/a with a = 7.010(5) Å, b = 13.669(4) Å, c = 12.764(4) Å, = 101.23(4)°, V = 1199.6(10) Å3, Z = 4, D
c = 1.375 g/cm3, (Mo K) = 0.088 mm–1, R = 0.045 for 1658 reflections [I > 2(I)]. The title compound is not planar two Schiff base moieties A [C1–C11, O1] and B [N1, C12, C13, N2, C14, C15, C16] are inclined at an angle of 27.4(1)° reflecting mainly the twist about C12–N1 [C11–C12–N1–C13, 29.7(2)°]. There is a strong intramolecular hydrogen bond (O–H···N) of 2.529(2) Å. 相似文献
2.
3.
Thomas Steiner 《Journal of chemical crystallography》1994,27(11):673-675
The X-ray crystal structure of propargylammonium hexafluorosilicate, 2(C3H6N)+ (SiF6)2−, is determined. The SiF6 anion is involved in N−H...F and C−H...F interactions with eight surrounding cations. This involves two-three-and four-center
N−H...F hydrogen bonds, and additional C−H...F interactions with C...F distances down to 2.963(6) ?. The alkynyl C−H donors
form only C−H...F interactions of unfavorable geometries. 相似文献
4.
Xiang-Shan Wang Zhao-Sen Zeng Da-Qing Shi Shu-Jiang Tu Xian-Yong Wei Zhi-Min Zong 《Journal of chemical crystallography》2006,36(11):697-701
The crystal structure of 2-amino-3-cyano-4,6-dihydro-4-(3-nitrophenyl)-5H-pyrano[3,2-c]quinolin-5-one N,N-dimethylformamide solvate monohydrate is determined by room temperature X-ray diffraction. The title compound 1, C22H21N5O6, is triclinic, space group P-1, a=9.109(2) ?, b=11.340(2) ?, c=12.485(2) ?, α=70.02(1)°, β=69.36(1)°, γ=67.32(1)°, Z=2, V=1081.4(4) ?3. It is interesting that a bridge-like hydrogen bond O–H···O is formed between the title compound and solvent molecules of water with molecular ratio of 2:2 building a bi-layer framework. In addition, there are two other types of classical hydrogen bonds N–H···N and N–H···O in the crystal structure.Supplementary material Crystallographic data for the structure reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication no. CCDC-275001. Copies of available material can be obtained, free of charge, on application to the Director, CCDC, 12 Union Road, Cambridge CB2 1EZ, UK, (fax: +44-(0) 1223–336033 or e-mail: deposit@ccdc.cam.ac.uk). 相似文献
5.
A. V. S. N. Krishna Murthy M. Srinivasulu M. L. N. Madhumohan Y. V. Rao D. M. Potukuchi 《Molecular Crystals and Liquid Crystals》2018,664(1):46-68
Shiff based Linear Hydrogen Bonded Liquid Crystalline homologues, viz., (4)PyBD(4I)BrA-nOBAs for n = 2,3,4,5,6,7,8,10,11 and 12 are synthesized. 1H-NMR and 13C-NMR studies confirm the formation of HBLC and IR confirms the linear hydrogen bonding. Liquid crystal phase abundance, transition temperatures, enthalpy and order of transition are investigated by Polarized Optical Microscopy textural studies and Differential Scanning Calorimetry. Nematic, Smectic-A, -D, -C, Bhexatic, -BCrystal, -F, -I and –G phases are identified. Large LC phase variances, viz., NABhexFG and NACFG are exhibited by intermediate chain length with n = 5 and 6. A-C transition exhibited unique II-order nature. II-order nature for G-Solid transition explained. Phase diagram drawn with flexible chain length infers INA, and ACF and CIF MultiCritical Points and Lifshitz behaviour. NA TriCiritical Point predicted in [3+7] binary. Influences of chain length, linear HB and end polar(-Br) substitution for LC phase stability are is discussed. Results of Phase stability are discussed in the wake of the body of the data and reports in other LCs. DSC enthalpy suggests for utility of intermediate and higher homologues for device savvy tilted Smectic LC phases. 相似文献
6.
Sophon Roegsumran Nongnuj Jaiboon Narongsak Chaichit Damrong Sommit Duangpen Pattamadilok Chaiyo Chaichantipyuth Amorn Petsom 《Journal of chemical crystallography》2002,32(12):511-517
Two labdane diterpenoids, labda-7,12(E),14-triene-17-oic acid (1) and labda-12(Z),14,17-triene-18-oic acid (2), C20H30O2, have been isolated from Croton oblongifolius. Both 1 and 2 crystallized in the monoclinic system, space group C2, with cell dimensions of a = 21.912(1) Å, b = 7.4002(4) Å, c = 11.5079(7) Å, = 101.999(1)o and a = 21.308(2) Å, b = 11.9067(9) Å, c = 7.5606(6) Å, = 100.763(1)o, respectively. Compound 1, a rare example of carboxylic group bound to a cyclohexene ring, forms an infinite intermolecular hydrogen-bonded polymer [O1 O2(–x + 1/2, y + 1/2, –z + 2) 2.697(2) Å], whereas molecules of compound 2 are linked to form an asymmetric hydrogen-bonded dimer [O1 O2(–x, y, –z) 2.657(3) Å]. 相似文献
7.
Graham Smith Daniel E. Lynch Karl A. Byriel Colin H. L. Kennard 《Journal of chemical crystallography》1997,27(5):307-317
A number of molecular adducts of 4-aminobenzoic acid (4-ABA) have been prepared and characterized using infrared spectroscopy
and in three cases by X-ray diffration methods. These three compounds are with 4-nitroaniline [(4-ABA) (C6H6N2O2)], 4-(4-nitrobenzyl) pyridine, [(4-ABA)2(C12H10N2O2)4], and (4-nitrophenyl)acetic acid, [(4-ABA) (C8H7NO4)]. Other compounds described are with 4-chlorobenzoic acid, [(4-ABA) (C7H5ClO2)], 4-bromobenzoic acid, [(4-ABA) (C7H5BrO2)], 4-cyanobenzoic acid, [(4-ABA) (C7H6N2)], 2-nitrobenzoic acid, [(4-ABA) (C7H5NO4)], and 3-nitrobenzoic acid, [(4-ABA) (C7H5NO4)]. All compounds have 1:1 stoichiometry except that with 4-(4-nitrobenzyl)pyridine (1:2) which is unique in being retro-stoichiometric.
A review of the systematics of the 4-aminobenzoic acid adducts is also made, particularly with respect to the infrared characterization
of the cocrystalline materials and prediction of their NLO potential. 相似文献