Network hydrogen bonding in two new cocrystals sustained by 731-1731-1731-1, a tetrahedral hydrogen bond donor

Heba Abourahma; Steven B. Copp; Mary Anne MacDonald; Rosa E. Meléndez; Susan D. Batchilder; Michael J. Zaworotko

doi:10.1007/BF01670326

Network hydrogen bonding in two new cocrystals sustained by 731-1731-1731-1, a tetrahedral hydrogen bond donor

Heba Abourahma
, Steven B. Copp
, Mary Anne MacDonald
, Rosa E. Meléndez
, Susan D. Batchilder
, Michael J. Zaworotko

Dalhousie University

Research output: Contribution to journal › Article › peer-review

Abstract

We report details of the synthesis and X-ray crystal structures of two new cocrystals that are sustained by the tetrahedral hydrogen bond donor [Mn(CO)₃(μ₃-OH)]₄. [Mn(CO)₃(μ₃-OH)]₄· 2(2,3,5,6-tetramethylpyrazine)·2H₂O·2MeCN, a=21.503(3), b=12.674(1), c=17.318(2), β=102.15(2), C2/c, D_calc=1.46 mg/m³, Z=4,4188 observed reflns, R_f=0.047, R_w=0.040; 1.[Mn(CO)₃(μ₃-OH)]₄·4,4′-dipyridyl·2MeCn, a=16.942(6), b=12.395(2), c=18.790(6), β=114.88(3), C 2/c, D_calc=1.60 mg/m³, Z=4,2430 observed reflns, R_f=0.043, R_w=0.051;2. 1 crystallizes as a 2-D grid, whereas 2 forms 1-D strands. The hydrogen bond patterns exhibited by 1 and 2 are analyzed in the context of our earlier studies involving [Mn(CO)₃(μ₃-OH)]₄ and other relevant literature.

Original language	English
Pages (from-to)	731-736
Number of pages	6
Journal	Journal of Chemical Crystallography
Volume	25
Issue number	11
DOIs	https://doi.org/10.1007/BF01670326
Publication status	Published - Nov 1995
Externally published	Yes

Keywords

Crystal engineering
acetonitrile
hydrogen bonding

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10.1007/BF01670326

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@article{5912ccbc01604c9885b88f99be05df55,

title = "Network hydrogen bonding in two new cocrystals sustained by 731-1731-1731-1, a tetrahedral hydrogen bond donor",

abstract = "We report details of the synthesis and X-ray crystal structures of two new cocrystals that are sustained by the tetrahedral hydrogen bond donor [Mn(CO)3(μ3-OH)]4. [Mn(CO)3(μ3-OH)]4· 2(2,3,5,6-tetramethylpyrazine)·2H2O·2MeCN, a=21.503(3), b=12.674(1), c=17.318(2), β=102.15(2), C2/c, Dcalc=1.46 mg/m3, Z=4,4188 observed reflns, Rf=0.047, Rw=0.040; 1.[Mn(CO)3(μ3-OH)]4·4,4′-dipyridyl·2MeCn, a=16.942(6), b=12.395(2), c=18.790(6), β=114.88(3), C 2/c, Dcalc=1.60 mg/m3, Z=4,2430 observed reflns, Rf=0.043, Rw=0.051;2. 1 crystallizes as a 2-D grid, whereas 2 forms 1-D strands. The hydrogen bond patterns exhibited by 1 and 2 are analyzed in the context of our earlier studies involving [Mn(CO)3(μ3-OH)]4 and other relevant literature.",

keywords = "Crystal engineering, acetonitrile, hydrogen bonding",

author = "Heba Abourahma and Copp, \{Steven B.\} and MacDonald, \{Mary Anne\} and Mel{\'e}ndez, \{Rosa E.\} and Batchilder, \{Susan D.\} and Zaworotko, \{Michael J.\}",

year = "1995",

month = nov,

doi = "10.1007/BF01670326",

language = "English",

volume = "25",

pages = "731--736",

journal = "Journal of Chemical Crystallography",

issn = "1074-1542",

number = "11",

}

TY - JOUR

T1 - Network hydrogen bonding in two new cocrystals sustained by 731-1731-1731-1, a tetrahedral hydrogen bond donor

AU - Abourahma, Heba

AU - Copp, Steven B.

AU - MacDonald, Mary Anne

AU - Meléndez, Rosa E.

AU - Batchilder, Susan D.

AU - Zaworotko, Michael J.

PY - 1995/11

Y1 - 1995/11

N2 - We report details of the synthesis and X-ray crystal structures of two new cocrystals that are sustained by the tetrahedral hydrogen bond donor [Mn(CO)3(μ3-OH)]4. [Mn(CO)3(μ3-OH)]4· 2(2,3,5,6-tetramethylpyrazine)·2H2O·2MeCN, a=21.503(3), b=12.674(1), c=17.318(2), β=102.15(2), C2/c, Dcalc=1.46 mg/m3, Z=4,4188 observed reflns, Rf=0.047, Rw=0.040; 1.[Mn(CO)3(μ3-OH)]4·4,4′-dipyridyl·2MeCn, a=16.942(6), b=12.395(2), c=18.790(6), β=114.88(3), C 2/c, Dcalc=1.60 mg/m3, Z=4,2430 observed reflns, Rf=0.043, Rw=0.051;2. 1 crystallizes as a 2-D grid, whereas 2 forms 1-D strands. The hydrogen bond patterns exhibited by 1 and 2 are analyzed in the context of our earlier studies involving [Mn(CO)3(μ3-OH)]4 and other relevant literature.

AB - We report details of the synthesis and X-ray crystal structures of two new cocrystals that are sustained by the tetrahedral hydrogen bond donor [Mn(CO)3(μ3-OH)]4. [Mn(CO)3(μ3-OH)]4· 2(2,3,5,6-tetramethylpyrazine)·2H2O·2MeCN, a=21.503(3), b=12.674(1), c=17.318(2), β=102.15(2), C2/c, Dcalc=1.46 mg/m3, Z=4,4188 observed reflns, Rf=0.047, Rw=0.040; 1.[Mn(CO)3(μ3-OH)]4·4,4′-dipyridyl·2MeCn, a=16.942(6), b=12.395(2), c=18.790(6), β=114.88(3), C 2/c, Dcalc=1.60 mg/m3, Z=4,2430 observed reflns, Rf=0.043, Rw=0.051;2. 1 crystallizes as a 2-D grid, whereas 2 forms 1-D strands. The hydrogen bond patterns exhibited by 1 and 2 are analyzed in the context of our earlier studies involving [Mn(CO)3(μ3-OH)]4 and other relevant literature.

KW - Crystal engineering

KW - acetonitrile

KW - hydrogen bonding

UR - https://www.scopus.com/pages/publications/21844507913

U2 - 10.1007/BF01670326

DO - 10.1007/BF01670326

M3 - Article

AN - SCOPUS:21844507913

SN - 1074-1542

VL - 25

SP - 731

EP - 736

JO - Journal of Chemical Crystallography

JF - Journal of Chemical Crystallography

IS - 11

ER -

Network hydrogen bonding in two new cocrystals sustained by 731-1731-1731-1, a tetrahedral hydrogen bond donor

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