%0 Journal Article %1 ISI:000253697300014 %A Boghaei, Davar M. %A Behzadian-Asl, Fatemeh %A Khavasi, Hamid Reza %C 233 SPRING ST, NEW YORK, NY 10013 USA %D 2008 %I SPRINGER/PLENUM PUBLISHERS %J JOURNAL OF CHEMICAL CRYSTALLOGRAPHY %K `-Azodi(phenylcyanamide); bond; crystal cyanamide groups; hydrogen structure} {4,4 %N 4 %P 311-314 %R 10.1007/s10870-007-9313-7 %T Synthesis and crystal structure of bis (Tetrabutylammonium)(4,4 `-Azodi(phenylcyanamide)) salt center dot(n-Bu)(4)N(2)Azodicyd(2-)center dot H2O %V 38 %X The chemical preparation and crystal structure for a 4,4'-azodi(phenylcyanamide) salt) in the solid state are reported. This compound crystallizes in the triclinic space group P (1) over bar with the following unit cell parameters: a = 9.759(3) angstrom, b = 11.237(4) angstrom, c = 11.919(4) angstrom, alpha = 95.54(3)degrees, beta = 98.50(3)degrees, gamma = 109.39(2)degrees, Z = 1 and V = 1204.4(7) angstrom(3). The 4,4'-azodi(phenylcyanamide) dianion, azodicyd(2-), is approximately planar, with the cyanamide groups (-N=C=N) in an anti conformation relative to each other and the azo group (-N=N-) adopting the more thermodynamically stable trans conformation. The crystal X-ray analysis shows that there are one azo molecule cation, two tetrabutylammonium cations and one water molecule in unit cell. Intermolecular O-H center dot center dot center dot N hydrogen bonds may be effective in the stabilization of the crystal structure of this compound and to form linear chain structure in the packing.

@article{ISI:000253697300014, abstract = {{The chemical preparation and crystal structure for a 4,4'-azodi(phenylcyanamide) salt) in the solid state are reported. This compound crystallizes in the triclinic space group P (1) over bar with the following unit cell parameters: a = 9.759(3) angstrom, b = 11.237(4) angstrom, c = 11.919(4) angstrom, alpha = 95.54(3)degrees, beta = 98.50(3)degrees, gamma = 109.39(2)degrees, Z = 1 and V = 1204.4(7) angstrom(3). The 4,4'-azodi(phenylcyanamide) dianion, azodicyd(2-), is approximately planar, with the cyanamide groups (-N=C=N) in an anti conformation relative to each other and the azo group (-N=N-) adopting the more thermodynamically stable trans conformation. The crystal X-ray analysis shows that there are one azo molecule cation, two tetrabutylammonium cations and one water molecule in unit cell. Intermolecular O-H center dot center dot center dot N hydrogen bonds may be effective in the stabilization of the crystal structure of this compound and to form linear chain structure in the packing.}}, added-at = {2017-05-10T15:29:29.000+0200}, address = {{233 SPRING ST, NEW YORK, NY 10013 USA}}, affiliation = {{Boghaei, DM (Reprint Author), Sharif Univ Technol, Dept Chem, POB 11155-3516, Tehran, Iran. Boghaei, Davar M.; Behzadian-Asl, Fatemeh, Sharif Univ Technol, Dept Chem, Tehran, Iran. Khavasi, Hamid Reza, Shaheed Beheshti Univ, Dept Chem, Tehran 1983963113, Iran.}}, author = {Boghaei, Davar M. and Behzadian-Asl, Fatemeh and Khavasi, Hamid Reza}, author-email = {{dboghaei@sharif.edu}}, biburl = {https://www.bibsonomy.org/bibtex/2a3926c025641b2b66d2e932f49b19c35/hkhavasi}, cited-references = {{Al-Noaimi M, 2004, INORG CHEM, V43, P1770, DOI 10.1021/ic0349454. AQUINO MAS, 1991, INORG CHEM, V30, P3234, DOI 10.1021/ic00016a023. AQUINO MAS, 1990, INORG CHEM, V29, P3641, DOI 10.1021/ic00344a005. AQUINO MAS, 1993, ACTA CRYSTALLOGR C, V49, P1543, DOI 10.1107/S0108270193001428. BAILEY RA, 1971, COORDIN CHEM REV, V6, P407, DOI 10.1016/S0010-8545(00)80015-6. CORTES R, 1996, MAGNETIC MAT, P186. Crutchley RJ, 2001, COORDIN CHEM REV, V219, P125, DOI 10.1016/S0010-8545(01)00324-1. DRAGO RS, 1992, PHYS METHODS CHEM, P118. Escuer A, 2004, POLYHEDRON, V23, P1409, DOI 10.1016/j.poly.2004.02.013. Escuer A, 2003, INORG CHEM, V42, P541, DOI 10.1021/ic025931l. Farrugia LJ, 1997, J APPL CRYSTALLOGR, V30, P565, DOI DOI 10.1107/S0021889897003117. Golub A. M., 1986, CHEM PSEUDOHALIDES. KABESOVA M, 1995, COORDIN CHEM REV, V140, P115, DOI 10.1016/0010-8545(94)01121-Q. Mosher PJ, 2001, INORG CHEM, V40, P1189, DOI 10.1021/ic001268u. Sheldrick G.M., 1997, SHELXS 97 PROGRAM CR. 2000, X STEP32 VERSION 1 0. 2005, X RED32 VERSION 1 28. 2005, X SHAPE VERSION 2 05.}}, doc-delivery-number = {{270CK}}, doi = {{10.1007/s10870-007-9313-7}}, interhash = {3632213d8bafd508c93fd3bbdee80aae}, intrahash = {a3926c025641b2b66d2e932f49b19c35}, issn = {{1074-1542}}, journal = {{JOURNAL OF CHEMICAL CRYSTALLOGRAPHY}}, journal-iso = {{J. Chem. Crystallogr.}}, keywords = {`-Azodi(phenylcyanamide); bond; crystal cyanamide groups; hydrogen structure} {4,4}, keywords-plus = {{MIXED-VALENCE COMPLEX; MAGNETIC-PROPERTIES; BRIDGING LIGAND; DIANION; THIOCYANATE; DERIVATIVES; IONS}}, language = {{English}}, month = {{APR}}, number = {{4}}, number-of-cited-references = {{18}}, pages = {{311-314}}, publisher = {{SPRINGER/PLENUM PUBLISHERS}}, research-areas = {{Crystallography; Spectroscopy}}, researcherid-numbers = {{G, Neela/H-3016-2014}}, times-cited = {{0}}, timestamp = {2017-05-10T15:29:29.000+0200}, title = {{Synthesis and crystal structure of bis (Tetrabutylammonium)(4,4 `-Azodi(phenylcyanamide)) salt center dot{[}(n-Bu)(4)N](2){[}Azodicyd(2-)]center dot H2O}}, type = {{Article}}, unique-id = {{ISI:000253697300014}}, usage-count-last-180-days = {{0}}, usage-count-since-2013 = {{1}}, volume = {{38}}, web-of-science-categories = {{Crystallography; Spectroscopy}}, year = {{2008}} }